Molecule

ID:91697

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O
Molecular Mass
196.24448
Exact Mass
196.088815
Charge
0
InChI
InChI=1S/C14H12O/c1-11-5-2-3-8-14(11)13-7-4-6-12(9-13)10-15/h2-10H,1H3
InChIKey
WVNBJBQNNBVFGV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1ccccc1C
Isomeric Smiles
O=Cc1cc(ccc1)c1c(cccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.846395
LogD (pH = 7.4)
3.846395
Log P
3.846395
Molar Refractivity
62.8194
Polarizability
25.061806
Polar Surface Area
17.07
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