Molecule
ID:19188
General Information
Molecular Formula
C₁₉H₁₇ClN₂O₃S
Molecular Mass
388.86788
Exact Mass
388.06484109
Charge
0
InChI
InChI=1S/C19H17ClN2O3S/c1-24-16-7-6-13(10-17(16)25-2)18(23)22-19-21-11-15(26-19)9-12-4-3-5-14(20)8-12/h3-8,10-11H,9H2,1-2H3,(H,21,22,23)
InChIKey
QRVJMOYOVNMZBM-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)C(=O)Nc1ncc(s1)Cc1cccc(c1)Cl
Isomeric Smiles
c1(NC(=O)c2cc(c(cc2)OC)OC)ncc(s1)Cc1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
9.702295
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.921081
LogD (pH = 7.4)
4.919057
Log P
4.921109
Molar Refractivity
103.6797
Polarizability
39.017838
Polar Surface Area
60.45
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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