Molecule

ID:117237

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂
Molecular Mass
222.62778
Exact Mass
222.01960515
Charge
0
InChI
InChI=1S/C10H7ClN2O2/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15/h1-4H,(H2,12,13)(H,14,15)
InChIKey
HVLMLAPEHHRBBF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(N)c(cn2)C(=O)O
Isomeric Smiles
c1(c(c2c(nc1)ccc(c2)Cl)N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.943989
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.65938467
LogD (pH = 7.4)
0.33157122
Log P
0.6652818
Molar Refractivity
56.7407
Polarizability
22.280289
Polar Surface Area
76.21
Rotatable Bonds
1
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