Molecule

ID:40146

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClN₃OS
Molecular Mass
267.7346
Exact Mass
267.02331064
Charge
0
InChI
InChI=1S/C11H10ClN3OS/c1-6-9(10(16)15-13)17-11(14-6)7-2-4-8(12)5-3-7/h2-5H,13H2,1H3,(H,15,16)
InChIKey
YGWSDBKJEBXZLC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1sc(nc1C)c1ccc(cc1)Cl
Isomeric Smiles
c1(sc(nc1C)c1ccc(cc1)Cl)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.55912
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0782318
LogD (pH = 7.4)
2.07882
Log P
2.0788276
Molar Refractivity
79.1109
Polarizability
26.321045
Polar Surface Area
68.01
Rotatable Bonds
2
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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