Molecule

ID:8532

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄
Molecular Mass
182.26096
Exact Mass
182.10955045
Charge
0
InChI
InChI=1S/C14H14/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKey
PQTAUFTUHHRKSS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1Cc1ccccc1
Isomeric Smiles
c1cccc(c1)Cc1c(cccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.578461
LogD (pH = 7.4)
4.578461
Log P
4.578461
Molar Refractivity
60.8364
Polarizability
23.573874
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation