Molecule

ID:64920

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClN₃
Molecular Mass
171.6274
Exact Mass
171.05632502
Charge
0
InChI
InChI=1S/C7H9N3.ClH/c1-2-8-3-6-4-9-5-10-7(1)6;/h4-5,8H,1-3H2;1H
InChIKey
NMBJBSQBCVWFMH-UHFFFAOYSA-N
Canonic Smiles
C1NCc2c(C1)ncnc2.Cl
Isomeric Smiles
n1cc2c(nc1)CCNC2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1087432
LogD (pH = 7.4)
-1.4276527
Log P
-0.3222038
Molar Refractivity
38.7021
Polarizability
14.776032
Polar Surface Area
37.81
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