Molecule

ID:113873

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c13-7-4-5-9-8-2-1-3-10(8)12(14)15-11(9)6-7/h4-6,13H,1-3H2
InChIKey
HLHZQJPJPNQANY-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c1c2CCC1
Isomeric Smiles
c1(=O)c2c(c3c(o1)cc(cc3)O)CCC2
Calculated Properties
JChem
Acid pKa
7.7662916
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1532512
LogD (pH = 7.4)
2.0013535
Log P
2.1555822
Molar Refractivity
54.9674
Polarizability
21.101215
Polar Surface Area
46.53
Rotatable Bonds
0
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