Molecule

ID:92556

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c1-8-7-10(12(13)14)11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChIKey
CASZQQKUMVLKBY-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(c(o1)c1ccccc1)C(=O)O
Isomeric Smiles
o1c(cc(c1c1ccccc1)C(=O)O)C
Calculated Properties
JChem
Acid pKa
4.2881827
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3022497
LogD (pH = 7.4)
-0.43370372
Log P
2.537862
Molar Refractivity
55.991
Polarizability
22.24135
Polar Surface Area
50.44
Rotatable Bonds
2
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