Molecule

ID:108720

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂
Molecular Mass
168.23438
Exact Mass
168.09390038
Charge
0
InChI
InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
ZZLCFHIKESPLTH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1ccccc1
Isomeric Smiles
Cc1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1338925
LogD (pH = 7.4)
4.1338925
Log P
4.1338925
Molar Refractivity
56.2354
Polarizability
23.293167
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation