Molecule

ID:76009

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂S
Molecular Mass
254.69278
Exact Mass
253.99167615
Charge
0
InChI
InChI=1S/C10H7ClN2O2S/c11-16(14,15)9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H
InChIKey
BPLYUKDYQDTCTE-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)c1ncccn1
Isomeric Smiles
n1c(nccc1)c1ccc(cc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.373488
LogD (pH = 7.4)
2.3735335
Log P
2.373534
Molar Refractivity
72.3276
Polarizability
24.864119
Polar Surface Area
59.92
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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