Molecule

ID:70440

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClN₄
Molecular Mass
146.57818
Exact Mass
146.03592392
Charge
0
InChI
InChI=1S/C4H6N4.ClH/c5-3-1-7-2-4(6)8-3;/h1-2H,(H4,5,6,8);1H
InChIKey
YMMNCVMWOKVYDG-UHFFFAOYSA-N
Canonic Smiles
Nc1cncc(n1)N.Cl
Isomeric Smiles
c1(cncc(n1)N)N.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.9456404
LogD (pH = 7.4)
-0.9312229
Log P
-0.9310359
Molar Refractivity
31.772
Polarizability
10.842029
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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