Molecule

ID:79647

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O
Molecular Mass
234.29246
Exact Mass
234.10446507
Charge
0
InChI
InChI=1S/C17H14O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-14H
InChIKey
QONKLJMPKWQQFG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)/C=C/C=C/c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)/C=C/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
17.20906
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.417541
LogD (pH = 7.4)
4.417541
Log P
4.417541
Molar Refractivity
77.1956
Polarizability
28.866789
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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