Molecule

ID:103999

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClN₃O
Molecular Mass
149.57882
Exact Mass
149.03558957
Charge
0
InChI
InChI=1S/C4H7N3O.ClH/c1-7-2-3(8)6-4(7)5;/h2H2,1H3,(H2,5,6,8);1H
InChIKey
PJYONPGZTHDDJM-UHFFFAOYSA-N
Canonic Smiles
O=C1N=C(N(C1)C)N.Cl
Isomeric Smiles
Cl.CN1CC(=O)N=C1N
Calculated Properties
JChem
Acid pKa
5.9661527
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.5927732
LogD (pH = 7.4)
-2.8975937
Log P
-1.4594195
Molar Refractivity
28.32
Polarizability
10.516907
Polar Surface Area
58.69
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
References
Bioactivity
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