Molecule

ID:28606

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₃
Molecular Mass
214.2167
Exact Mass
214.06299418
Charge
0
InChI
InChI=1S/C13H10O3/c14-13(15)12(9-11-7-4-8-16-11)10-5-2-1-3-6-10/h1-9H,(H,14,15)/b12-9+
InChIKey
NXFJMNHCFFZDTM-FMIVXFBMSA-N
Canonic Smiles
OC(=O)/C(=C/c1ccco1)/c1ccccc1
Isomeric Smiles
C(=C\c1occc1)(/C(=O)O)\c1ccccc1
Calculated Properties
JChem
Acid pKa
3.4809663
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8544546
LogD (pH = 7.4)
-0.5165622
Log P
2.8644207
Molar Refractivity
59.9029
Polarizability
22.718256
Polar Surface Area
50.44
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