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Molecule
ID:130239
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₂₄H₁₄
Molecular Mass
302.36796
Exact Mass
302.10955045
Charge
0
InChI
InChI=1S/C24H14/c1-5-15-7-3-11-19-22-14-18-10-2-6-16-8-4-12-20(24(16)18)21(22)13-17(9-1)23(15)19/h1-14H
InChIKey
UXUXNGMSDNTZEC-UHFFFAOYSA-N
Canonic Smiles
c1cc2cccc3c2c(c1)c1cc2cccc4c2c(c1c3)ccc4
Isomeric Smiles
c1ccc2c3c1cccc3cc1c3cccc4cccc(cc21)c34
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.262881
LogD (pH = 7.4)
6.262881
Log P
6.262881
Molar Refractivity
99.623
Polarizability
45.44878
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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Zethrene
PubChem
12445035
Names and Identifiers
IUPAC name
hexacyclo[13.7.1.1
4
,
8
.0
2
,
1
3
.0
1
9
,
2
3
.0
1
2
,
2
4
]tetracosa-1(22),2,4(24),5,7,9,11,13,15(23),16,18,20-dodecaene
Synonyms
Zethrene
IUPAC Traditional name
hexacyclo[13.7.1.1
4
,
8
.0
2
,
1
3
.0
1
9
,
2
3
.0
1
2
,
2
4
]tetracosa-1(22),2,4(24),5,7,9,11,13,15(23),16,18,20-dodecaene
Registration numbers
Wikipedia Title
Zethrene
Chemspider ID
11562880
CAS Number
214-63-1
PubChem CID
12445035
PubChem SID
162224519
Properties
Safety Information
Safety Statements
R
Source
Molecule Details
Wikipedia
Zethrene
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
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Wikipedia Title
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Chemspider ID
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CAS Number
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PubChem CID
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PubChem SID