Molecule

ID:120482

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄OS
Molecular Mass
158.18164
Exact Mass
158.02623183
Charge
0
InChI
InChI=1S/C4H6N4OS/c9-3-5-1-2(6-3)8-4(10)7-1/h1-2H,(H2,5,6,9)(H2,7,8,10)
InChIKey
GUPCSRQTWWHGMO-UHFFFAOYSA-N
Canonic Smiles
O=C1NC2C(N1)NC(=S)N2
Isomeric Smiles
N1C2NC(=O)NC2NC1=S
Calculated Properties
JChem
Acid pKa
-3.9803915
H Acceptors
1
H Donor
4
LogD (pH = 5.5)
-0.80592406
LogD (pH = 7.4)
-0.80598074
Log P
-0.80591255
Molar Refractivity
37.4311
Polarizability
14.768277
Polar Surface Area
65.19
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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