Molecule

ID:86699

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆Cl₂N₂OS
Molecular Mass
379.30344
Exact Mass
378.0360395
Charge
0
InChI
InChI=1S/C18H16Cl2N2OS/c1-18(2,3)14-10-24-17(21-14)11-8-15(20)22-16(9-11)23-13-6-4-12(19)5-7-13/h4-10H,1-3H3
InChIKey
IYQDSYQYWWYWBY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1nc(Cl)cc(c1)c1scc(n1)C(C)(C)C
Isomeric Smiles
n1c(c2cc(nc(c2)Oc2ccc(cc2)Cl)Cl)scc1C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.8928795
LogD (pH = 7.4)
6.893052
Log P
6.8930545
Molar Refractivity
109.7302
Polarizability
38.902008
Polar Surface Area
35.01
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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