Molecule

ID:91225

General Information
Structure
Molecular Formula
C₁₈H₁₆
Molecular Mass
232.31964
Exact Mass
232.12520051
Charge
0
InChI
InChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H
InChIKey
BOBLSBAZCVBABY-UHFFFAOYSA-N
Canonic Smiles
C(=C\C=C\c1ccccc1)/C=C/c1ccccc1
Isomeric Smiles
C(=C\C=C\C=C\c1ccccc1)/c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.3675184
LogD (pH = 7.4)
5.3675184
Log P
5.3675184
Molar Refractivity
82.15
Polarizability
30.61289
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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