Molecule

ID:42119

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClN₂O₃S
Molecular Mass
294.71358
Exact Mass
293.98659077
Charge
0
InChI
InChI=1S/C12H7ClN2O3S/c13-12-14-5-7(19-12)6-18-15-10(16)8-3-1-2-4-9(8)11(15)17/h1-5H,6H2
InChIKey
XZFMVSWFWKULKO-UHFFFAOYSA-N
Canonic Smiles
O=C1N(OCc2cnc(s2)Cl)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)OCc1sc(nc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4979193
LogD (pH = 7.4)
2.4979217
Log P
2.4979217
Molar Refractivity
70.1927
Polarizability
26.20614
Polar Surface Area
59.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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