Molecule

ID:38147

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClN₃O
Molecular Mass
149.57882
Exact Mass
149.03558957
Charge
0
InChI
InChI=1S/C4H7N3O.ClH/c1-3-6-4(2-5)8-7-3;/h2,5H2,1H3;1H
InChIKey
DPXUYBRGYFENOX-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(on1)CN.Cl
Isomeric Smiles
o1c(CN)nc(n1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0163968
LogD (pH = 7.4)
-0.57936317
Log P
-0.39585352
Molar Refractivity
29.0989
Polarizability
10.629333
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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