Molecule
ID:84895
General Information
Molecular Formula
C₂₇H₁₈O
Molecular Mass
358.43122
Exact Mass
358.1357652
Charge
0
InChI
InChI=1S/C27H18O/c28-27(23-14-13-19-7-1-2-8-20(19)17-23)16-15-26-24-11-5-3-9-21(24)18-22-10-4-6-12-25(22)26/h1-18H
InChIKey
PCTWPKLTQOSEEH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc2c(c1)cccc2)/C=C/c1c2ccccc2cc2c1cccc2
Isomeric Smiles
O=C(c1ccc2ccccc2c1)/C=C/c1c2c(cc3ccccc13)cccc2
Calculated Properties
JChem
Acid pKa
16.368263
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.8587556
LogD (pH = 7.4)
6.8587556
Log P
6.8587556
Molar Refractivity
116.2276
Polarizability
48.349968
Polar Surface Area
17.07
Rotatable Bonds
3
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
No Data Available
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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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