Molecule

ID:76863

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₃S
Molecular Mass
258.68148
Exact Mass
257.98659077
Charge
0
InChI
InChI=1S/C9H7ClN2O3S/c1-6-11-9(12-15-6)7-3-2-4-8(5-7)16(10,13)14/h2-5H,1H3
InChIKey
YPMVPGZXUILSPT-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(n1)c1cccc(c1)S(=O)(=O)Cl
Isomeric Smiles
n1c(c2cccc(c2)S(=O)(=O)Cl)nc(o1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3324509
LogD (pH = 7.4)
2.3324509
Log P
2.3324509
Molar Refractivity
70.7201
Polarizability
23.618244
Polar Surface Area
73.06
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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