Molecule

ID:110332

General Information
Structure
Molecular Formula
C₁₈H₁₄
Molecular Mass
230.30376
Exact Mass
230.10955045
Charge
0
InChI
InChI=1S/C18H14/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-14H
InChIKey
BULLHRADHZGONG-UHFFFAOYSA-N
Canonic Smiles
C1=C/C(=C(\c2ccccc2)/c2ccccc2)/C=C1
Isomeric Smiles
c1ccc(cc1)/C(=C/1\C=CC=C1)/c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.474711
LogD (pH = 7.4)
4.474711
Log P
4.474711
Molar Refractivity
88.8855
Polarizability
29.768427
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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