Molecule

ID:80473

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₂OS
Molecular Mass
154.18964
Exact Mass
154.02008382
Charge
0
InChI
InChI=1S/C6H6N2OS/c1-4-6(7-3-10)5(2)9-8-4/h1-2H3
InChIKey
VEJISXGKUSXQBS-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1c(C)noc1C
Isomeric Smiles
n1c(c(c(o1)C)N=C=S)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6905433
LogD (pH = 7.4)
1.6905478
Log P
1.690548
Molar Refractivity
44.3041
Polarizability
15.54964
Polar Surface Area
38.39
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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