Molecule

ID:58452

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-17-15-4-2-3-13(11-15)6-5-12-7-9-14(16)10-8-12/h2-11,16H,1H3/b6-5+
InChIKey
ZVJLZUWCAUTTBS-AATRIKPKSA-N
Canonic Smiles
COc1cccc(c1)/C=C/c1ccc(cc1)O
Isomeric Smiles
c1ccc(cc1OC)/C=C/c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
9.496493
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8518066
LogD (pH = 7.4)
3.8484066
Log P
3.8518503
Molar Refractivity
69.9569
Polarizability
26.66131
Polar Surface Area
29.46
Rotatable Bonds
3
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