Molecule

ID:55345

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN₃S
Molecular Mass
179.671
Exact Mass
179.02839602
Charge
0
InChI
InChI=1S/C5H9N3S.ClH/c1-2-4-7-8-5(3-6)9-4;/h2-3,6H2,1H3;1H
InChIKey
RPAUQWMGQNPJIA-UHFFFAOYSA-N
Canonic Smiles
CCc1nnc(s1)CN.Cl
Isomeric Smiles
n1nc(sc1CC)CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2192554
LogD (pH = 7.4)
-0.5977012
Log P
-0.22917263
Molar Refractivity
38.2572
Polarizability
14.242397
Polar Surface Area
51.8
Rotatable Bonds
2
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
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References
Bioactivity
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