Molecule

ID:26282

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂S
Molecular Mass
152.21682
Exact Mass
152.04081927
Charge
0
InChI
InChI=1S/C7H8N2S/c1-4-5(2)10-7(9)6(4)3-8/h9H2,1-2H3
InChIKey
DTDMOFLHHZZNFB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(N)sc(c1C)C
Isomeric Smiles
c1(c(sc(c1C)C)N)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.106136
LogD (pH = 7.4)
2.106136
Log P
2.106136
Molar Refractivity
42.8432
Polarizability
15.483846
Polar Surface Area
49.81
Rotatable Bonds
0
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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