Molecule

ID:30481

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)
InChIKey
OAIODEZFMSXHFQ-UHFFFAOYSA-N
Canonic Smiles
Cc1c(CC(=O)O)c2c([nH]1)ccc(c2)Cl
Isomeric Smiles
c1(c([nH]c2c1cc(cc2)Cl)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.2370844
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2297088
LogD (pH = 7.4)
-0.49452204
Log P
2.5133622
Molar Refractivity
58.4066
Polarizability
23.346338
Polar Surface Area
53.09
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