Molecule

ID:59281

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClN₂O
Molecular Mass
130.53242
Exact Mass
129.99339041
Charge
0
InChI
InChI=1S/C4H3ClN2O/c5-3-1-6-2-4(8)7-3/h1-2H,(H,7,8)
InChIKey
SKZXVUPFUHQWKS-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(=O)[nH]1
Isomeric Smiles
c1(=O)cncc([nH]1)Cl
Calculated Properties
JChem
Acid pKa
8.571347
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.37512067
LogD (pH = 7.4)
0.3504456
Log P
0.3754471
Molar Refractivity
39.4315
Polarizability
11.032801
Polar Surface Area
41.46
Rotatable Bonds
0
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