Molecule

ID:111492

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄
Molecular Mass
170.25026
Exact Mass
170.10955045
Charge
0
InChI
InChI=1S/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3
InChIKey
JBXULKRNHAQMAS-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2c(cc1C)cccc2C
Isomeric Smiles
Cc1cc2c(cc1C)c(C)ccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.502987
LogD (pH = 7.4)
4.502987
Log P
4.502987
Molar Refractivity
57.6318
Polarizability
23.33522
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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