Molecule

ID:64625

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₂S
Molecular Mass
242.68208
Exact Mass
241.99167615
Charge
0
InChI
InChI=1S/C9H7ClN2O2S/c1-2-14-9(13)6-3-5-7(15-6)8(10)12-4-11-5/h3-4H,2H2,1H3
InChIKey
VHIFKIGWDFTRLD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c(s1)c(Cl)ncn2
Isomeric Smiles
c1nc(c2sc(cc2n1)C(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6285546
LogD (pH = 7.4)
2.6285567
Log P
2.6285567
Molar Refractivity
58.1145
Polarizability
23.0306
Polar Surface Area
52.08
Rotatable Bonds
3
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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