Molecule

ID:113750

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂OS
Molecular Mass
118.15754
Exact Mass
118.02008382
Charge
0
InChI
InChI=1S/C3H6N2OS/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)
InChIKey
RZZJZGZPXBMZGL-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CC(=S)N
Isomeric Smiles
C(C(=S)N)C(=O)N
Calculated Properties
JChem
Acid pKa
11.7173195
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.0553412
LogD (pH = 7.4)
-1.0553337
Log P
-1.0551329
Molar Refractivity
30.6231
Polarizability
12.044218
Polar Surface Area
69.11
Rotatable Bonds
2
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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