Molecule

ID:124206

General Information
Structure
Molecular Formula
C₉H₇ClN₂O₂
Molecular Mass
210.61708
Exact Mass
210.01960515
Charge
0
InChI
InChI=1S/C9H7ClN2O2/c10-5-6-4-8(14)12-3-1-2-7(13)9(12)11-6/h1-4,13H,5H2
InChIKey
GDPDHDSSORRBEQ-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)n2c(n1)c(O)ccc2
Isomeric Smiles
n12c(nc(cc1=O)CCl)c(ccc2)O
Calculated Properties
JChem
Acid pKa
9.144898
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8008982
LogD (pH = 7.4)
0.7932541
Log P
0.80099654
Molar Refractivity
55.3103
Polarizability
19.585194
Polar Surface Area
52.9
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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