Molecule

ID:78052

General Information
Structure
Molecular Formula
C₄H₇ClN₂O
Molecular Mass
134.56418
Exact Mass
134.02469053
Charge
0
InChI
InChI=1S/C4H6N2O.ClH/c5-1-4-2-7-3-6-4;/h2-3H,1,5H2;1H
InChIKey
AFADDGJWYGIXSB-UHFFFAOYSA-N
Canonic Smiles
NCc1cocn1.Cl
Isomeric Smiles
o1cc(nc1)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.314529
LogD (pH = 7.4)
-1.6235253
Log P
-0.8776225
Molar Refractivity
24.7186
Polarizability
9.694505
Polar Surface Area
52.05
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