Molecule

ID:42508

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c1-17-13-8-6-11(7-9-13)10-2-4-12(5-3-10)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
FDPKGXQCDURRBM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(c1ccc(c2ccc(cc2)OC)cc1)O
Calculated Properties
JChem
Acid pKa
4.079943
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6874855
LogD (pH = 7.4)
0.008944246
Log P
3.1203828
Molar Refractivity
64.9136
Polarizability
26.124422
Polar Surface Area
46.53
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