Molecule

ID:136133

General Information
Structure
Molecular Formula
C₁₆H₁₄
Molecular Mass
206.28236
Exact Mass
206.10955045
Charge
0
InChI
InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
InChIKey
JFLKFZNIIQFQBS-FNCQTZNRSA-N
Canonic Smiles
C(=C\c1ccccc1)/C=C/c1ccccc1
Isomeric Smiles
c1ccc(cc1)/C=C/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.8403025
LogD (pH = 7.4)
4.8403025
Log P
4.8403025
Molar Refractivity
71.8314
Polarizability
27.168444
Polar Surface Area
0.0
Rotatable Bonds
3
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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