Molecule

ID:82276

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₃N₃O₂S
Molecular Mass
390.6721
Exact Mass
388.95593062
Charge
0
InChI
InChI=1S/C14H10Cl3N3O2S/c1-8-18-10(7-23-8)6-21-11-4-2-9(3-5-11)12-19-13(22-20-12)14(15,16)17/h2-5,7H,6H2,1H3
InChIKey
KLVHMKGYMHDPBO-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)COc1ccc(cc1)c1noc(n1)C(Cl)(Cl)Cl
Isomeric Smiles
n1c(C(Cl)(Cl)Cl)onc1c1ccc(cc1)OCc1csc(n1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.545869
LogD (pH = 7.4)
4.5464025
Log P
4.5464096
Molar Refractivity
102.2432
Polarizability
34.91628
Polar Surface Area
61.04
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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