Molecule

ID:80637

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆N₂OS
Molecular Mass
202.23244
Exact Mass
202.02008382
Charge
0
InChI
InChI=1S/C10H6N2OS/c14-7-12-9-3-1-8(2-4-9)10-5-11-6-13-10/h1-6H
InChIKey
DPYNECHAXAYCQR-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)c1ocnc1
Isomeric Smiles
n1coc(c1)c1ccc(cc1)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.504182
LogD (pH = 7.4)
2.5041888
Log P
2.504189
Molar Refractivity
58.844
Polarizability
22.977957
Polar Surface Area
38.39
Rotatable Bonds
2
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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