Molecule

ID:86370

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₁Cl₂N₃OS
Molecular Mass
388.27044
Exact Mass
386.99998835
Charge
0
InChI
InChI=1S/C18H11Cl2N3OS/c1-10-16(17(23-24-10)11-5-3-2-4-6-11)13-9-25-18(21-13)12-7-14(19)22-15(20)8-12/h2-9H,1H3
InChIKey
BDRTYTIBEAZPMC-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)c1scc(n1)c1c(C)onc1c1ccccc1
Isomeric Smiles
n1c(c2cc(nc(c2)Cl)Cl)scc1c1c(onc1c1ccccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.7178106
LogD (pH = 7.4)
5.717838
Log P
5.7178383
Molar Refractivity
112.0634
Polarizability
41.012688
Polar Surface Area
51.81
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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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