Molecule

ID:19287

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClNO₃S
Molecular Mass
285.74658
Exact Mass
285.02264193
Charge
0
InChI
InChI=1S/C12H12ClNO3S/c13-18(16,17)10-3-4-11-9(7-10)5-6-14(11)12(15)8-1-2-8/h3-4,7-8H,1-2,5-6H2
InChIKey
QZQRQRONDFXNPD-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCc2c1ccc(c2)S(=O)(=O)Cl)C1CC1
Isomeric Smiles
N1(C(=O)C2CC2)c2c(cc(S(=O)(=O)Cl)cc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.84101
LogD (pH = 7.4)
1.84101
Log P
1.84101
Molar Refractivity
68.9399
Polarizability
27.218443
Polar Surface Area
54.45
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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