Molecule

ID:31144

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂
Molecular Mass
222.62778
Exact Mass
222.01960515
Charge
0
InChI
InChI=1S/C10H7ClN2O2/c11-9-3-2-7(6-8(9)10(14)15)13-5-1-4-12-13/h1-6H,(H,14,15)
InChIKey
IJWPYVIFFDSOQM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(ccc1Cl)n1cccn1
Isomeric Smiles
c1(cc(n2nccc2)ccc1Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9395046
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.21731447
LogD (pH = 7.4)
-1.1630017
Log P
2.118973
Molar Refractivity
56.4807
Polarizability
21.643337
Polar Surface Area
55.12
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