Molecule

ID:33677

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClN₂
Molecular Mass
116.5489
Exact Mass
116.01412585
Charge
0
InChI
InChI=1S/C4H5ClN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChIKey
PGNUBDXGTOZIHC-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(cn1)Cl
Isomeric Smiles
n1n(cc(c1)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0051346
LogD (pH = 7.4)
1.0051503
Log P
1.0051506
Molar Refractivity
39.7662
Polarizability
10.840805
Polar Surface Area
17.82
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