Molecule

ID:72187

General Information
Structure
MolImage
Molecular Formula
C₃H₆ClN₃O
Molecular Mass
135.55224
Exact Mass
135.01993951
Charge
0
InChI
InChI=1S/C3H5N3O.ClH/c4-1-3-5-2-7-6-3;/h2H,1,4H2;1H
InChIKey
QDDRAIBQDTUWAO-UHFFFAOYSA-N
Canonic Smiles
NCc1nocn1.Cl
Isomeric Smiles
n1c(noc1)CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5727708
LogD (pH = 7.4)
-0.9642996
Log P
-0.6337198
Molar Refractivity
24.6582
Polarizability
8.886842
Polar Surface Area
64.94
Rotatable Bonds
1
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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