Molecule

ID:25951

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-12-6-2-3-8-14(12)11-17-15-9-5-4-7-13(15)10-16/h2-10H,11H2,1H3
InChIKey
OPCAEGHIDFCDBM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCc1ccccc1C
Isomeric Smiles
c1(c(OCc2c(C)cccc2)cccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7659714
LogD (pH = 7.4)
3.7659714
Log P
3.7659714
Molar Refractivity
68.759
Polarizability
26.110315
Polar Surface Area
26.3
Rotatable Bonds
4
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