Molecule

ID:122127

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClN₃
Molecular Mass
133.57942
Exact Mass
133.04067495
Charge
0
InChI
InChI=1S/C4H7N3.ClH/c1-7-4(5)2-3-6-7;/h2-3H,5H2,1H3;1H
InChIKey
SAEUMLXAERFGDZ-UHFFFAOYSA-N
Canonic Smiles
Cn1nccc1N.Cl
Isomeric Smiles
c1(n(ncc1)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.34256616
LogD (pH = 7.4)
-0.33858013
Log P
-0.33852908
Molar Refractivity
38.9151
Polarizability
10.040649
Polar Surface Area
43.84
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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