Molecule

ID:71635

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClN₃S
Molecular Mass
165.64442
Exact Mass
165.01274595
Charge
0
InChI
InChI=1S/C4H7N3S.ClH/c1-3-6-7-4(2-5)8-3;/h2,5H2,1H3;1H
InChIKey
LJFOGPILZPMPEV-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(s1)CN.Cl
Isomeric Smiles
n1nc(sc1CN)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.931558
LogD (pH = 7.4)
-1.3057548
Log P
-0.9297085
Molar Refractivity
33.6303
Polarizability
12.415443
Polar Surface Area
51.8
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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