(4E)-6-(4-bromophenyl)-N-(3,4-dichlorophenyl)-4-hydroxyimino-6-oxohexanamide

Formula:C18H15N2O3BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-6-(4-bromophenyl)-N-(3,4-dichlorophenyl)-4-hydroxyimino-6-oxohexanamide is not a drug-like molecule.

MolName(4E)-6-(4-bromophenyl)-N-(3,4-dichlorophenyl)-4-hydroxyimino-6-oxohexanamide
MolecularFormulaC18H15N2O3BrCl2
SmilesO/N=C(\CCC(Nc(cc1)cc(Cl)c1Cl)=O)/CC(c(cc1)ccc1Br)=O
InChIInChI=1S/C18H15BrCl2N2O3/c19-12-3-1-11(2-4-12)17(24)10-14(23-26)6-8-18(25)22-13-5-7-15(20)16(21)9-13/h1-5,7,9,26H,6,8,10H2,(H,22,25)
InChIKWTKQQQDCJGOZNJ-UHFFFAOYSA-N
TotalMolweight458.138
Molweight458.138
MonoisotopicMass455.964308
CLogP5.2401
CLogS-6.687
H Acceptors5
H Donors2
TotalSurfaceArea300.05
Relative PSA0.20713
PolarSurfaceArea78.76
Druglikeness-1.1988
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.65385
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms2
Amides1
StereoCon

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