Molecule

ID:55349

General Information
Structure
MolImage
Molecular Formula
C₃H₇ClN₄
Molecular Mass
134.56748
Exact Mass
134.03592392
Charge
0
InChI
InChI=1S/C3H6N4.ClH/c1-3-6-5-2-7(3)4;/h2H,4H2,1H3;1H
InChIKey
XYFLJRJMQDKZIU-UHFFFAOYSA-N
Canonic Smiles
Nn1cnnc1C.Cl
Isomeric Smiles
n1cn(c(n1)C)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.948484
LogD (pH = 7.4)
-1.9482136
Log P
-1.9482101
Molar Refractivity
29.5645
Polarizability
9.212104
Polar Surface Area
56.73
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
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Molecule Details
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References
Bioactivity
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