Molecule

ID:81164

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClN₃O₂S
Molecular Mass
283.734
Exact Mass
283.01822526
Charge
0
InChI
InChI=1S/C11H10ClN3O2S/c12-7-9(16)13-14-11(17)10-8(3-6-18-10)15-4-1-2-5-15/h1-6H,7H2,(H,13,16)(H,14,17)
InChIKey
KATGDVHZMGWOOQ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NNC(=O)c1sccc1n1cccc1
Isomeric Smiles
n1(c2c(C(=O)NNC(=O)CCl)scc2)cccc1
Calculated Properties
JChem
Acid pKa
8.070594
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2448183
LogD (pH = 7.4)
1.1684911
Log P
1.2459
Molar Refractivity
79.3978
Polarizability
26.615675
Polar Surface Area
63.13
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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