Molecule

ID:86624

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂S
Molecular Mass
100.14226
Exact Mass
100.00951914
Charge
0
InChI
InChI=1S/C3H4N2S/c4-2-1-3(5)6/h1H2,(H2,5,6)
InChIKey
BHPYMZQTCPRLNR-UHFFFAOYSA-N
Canonic Smiles
NC(=S)CC#N
Isomeric Smiles
N#CCC(=S)N
Calculated Properties
JChem
Acid pKa
9.697957
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.1902684
LogD (pH = 7.4)
-0.19237746
Log P
-0.19024143
Molar Refractivity
27.7802
Polarizability
10.666736
Polar Surface Area
49.81
Rotatable Bonds
1
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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