Molecule

ID:126957

General Information
Structure
Molecular Formula
C₁₅H₁₄
Molecular Mass
194.27166
Exact Mass
194.10955045
Charge
0
InChI
InChI=1S/C15H14/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-8H,9-11H2
InChIKey
PJQCANLCUDUPRF-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)CCc1c(C2)cccc1
Isomeric Smiles
c1cc2c(cc1)Cc1c(cccc1)CC2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6281567
LogD (pH = 7.4)
4.6281567
Log P
4.6281567
Molar Refractivity
64.0754
Polarizability
24.584885
Polar Surface Area
0.0
Rotatable Bonds
0
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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