Molecule

ID:40706

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₄OS
Molecular Mass
268.72266
Exact Mass
268.01855961
Charge
0
InChI
InChI=1S/C10H9ClN4OS/c11-6-3-1-5(2-4-6)8-7(9(16)15-13)14-10(12)17-8/h1-4H,13H2,(H2,12,14)(H,15,16)
InChIKey
FZWVZIWQCPTUQD-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1nc(sc1c1ccc(cc1)Cl)N
Isomeric Smiles
c1(c(sc(n1)N)c1ccc(cc1)Cl)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.922026
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.6747426
LogD (pH = 7.4)
1.675346
Log P
1.6753536
Molar Refractivity
68.3557
Polarizability
26.36461
Polar Surface Area
94.03
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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