Molecule

ID:78185

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClN₄
Molecular Mass
144.5623
Exact Mass
144.02027386
Charge
0
InChI
InChI=1S/C4H5ClN4/c5-4-8-1-2(6)3(7)9-4/h1H,6H2,(H2,7,8,9)
InChIKey
QDUJVEOOSNUDDW-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)N)N
Isomeric Smiles
n1c(nc(c(c1)N)N)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.1060639
LogD (pH = 7.4)
-0.105120614
Log P
-0.105108574
Molar Refractivity
37.9352
Polarizability
12.89882
Polar Surface Area
77.82
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