Molecule

ID:54335

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂S
Molecular Mass
162.64048
Exact Mass
162.00184691
Charge
0
InChI
InChI=1S/C5H6N2S.ClH/c6-5(7)4-2-1-3-8-4;/h1-3H,(H3,6,7);1H
InChIKey
URAGJMBGNVOIJC-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1cccs1.Cl
Isomeric Smiles
c1(cccs1)C(=N)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5792958
LogD (pH = 7.4)
-0.7973244
Log P
0.8065957
Molar Refractivity
44.6204
Polarizability
12.692938
Polar Surface Area
49.87
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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