Molecule

ID:41629

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂S
Molecular Mass
254.69278
Exact Mass
253.99167615
Charge
0
InChI
InChI=1S/C10H7ClN2O2S/c11-10-9(12-13-16-10)6-15-8-3-1-7(5-14)2-4-8/h1-5H,6H2
InChIKey
BUCQKDJJDPGCLD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCc1nnsc1Cl
Isomeric Smiles
c1(c(snn1)Cl)COc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6927998
LogD (pH = 7.4)
2.6928003
Log P
2.6928003
Molar Refractivity
61.4583
Polarizability
23.343662
Polar Surface Area
52.08
Rotatable Bonds
4
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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