Molecule

ID:85031

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₂
Molecular Mass
250.29186
Exact Mass
250.09937969
Charge
0
InChI
InChI=1S/C17H14O2/c1-11-6-8-12(9-7-11)16-17(19-16)10-13-4-2-3-5-14(13)15(17)18/h2-9,16H,10H2,1H3
InChIKey
ZULDHUGNBSXZRW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C1OC21Cc1c(C2=O)cccc1
Isomeric Smiles
O1C2(C1c1ccc(cc1)C)C(=O)c1ccccc1C2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8107111
LogD (pH = 7.4)
3.8107111
Log P
3.8107111
Molar Refractivity
73.2888
Polarizability
28.33716
Polar Surface Area
29.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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