Molecule

ID:71648

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂O
Molecular Mass
146.57488
Exact Mass
146.02469053
Charge
0
InChI
InChI=1S/C5H6N2O.ClH/c1-4-2-6-5(8)7-3-4;/h2-3H,1H3,(H,6,7,8);1H
InChIKey
IPYDCQOCPSBFRW-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(nc1)O.Cl
Isomeric Smiles
c1c(cnc(n1)O)C.Cl
Calculated Properties
JChem
Acid pKa
14.037768
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.93837744
LogD (pH = 7.4)
0.93837744
Log P
0.93837756
Molar Refractivity
29.6904
Polarizability
10.936889
Polar Surface Area
46.01
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