Molecule

ID:50881

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂S
Molecular Mass
150.20094
Exact Mass
150.0251692
Charge
0
InChI
InChI=1S/C7H6N2S/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H,8H2
InChIKey
UJZYHMZRXGNDFB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)ncs2
Isomeric Smiles
n1c2cc(N)ccc2sc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2781495
LogD (pH = 7.4)
1.2844641
Log P
1.2845458
Molar Refractivity
41.8291
Polarizability
16.75457
Polar Surface Area
38.91
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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