Molecule
ID:84003
General Information
Molecular Formula
C₇H₆N₂S
Molecular Mass
150.20094
Exact Mass
150.0251692
Charge
0
InChI
InChI=1S/C7H6N2S/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3
InChIKey
IYZKISWGGPKREZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1nsn2
Isomeric Smiles
s1nc2c(n1)cccc2C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.630296
LogD (pH = 7.4)
2.6302962
Log P
2.6302962
Molar Refractivity
41.5816
Polarizability
16.550415
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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