C16H14N3OBr2Cl | Cheminformatics

2-(2-bromo-4-chloroanilino)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide

Formula:C16H14N3OBr2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-bromo-4-chloroanilino)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide is a drug-like molecule.

MolName2-(2-bromo-4-chloroanilino)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide
MolecularFormulaC16H14N3OBr2Cl
SmilesC/C(/c(cc1)ccc1Br)=N/NC(CNc(ccc(Cl)c1)c1Br)=O
InChIInChI=1S/C16H14Br2ClN3O/c1-10(11-2-4-12(17)5-3-11)21-22-16(23)9-20-15-7-6-13(19)8-14(15)18/h2-8,20H,9H2,1H3,(H,22,23)
InChIKXUEKEPORXBGLIH-UHFFFAOYSA-N
TotalMolweight459.568
Molweight459.568
MonoisotopicMass456.919211
CLogP4.4878
CLogS-6.307
H Acceptors4
H Donors2
TotalSurfaceArea275.36
Relative PSA0.17239
PolarSurfaceArea53.49
Druglikeness2.2016
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.69565
Fragments1
Non HAtoms23
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms2
Amines1
Aromatic Amines1
StereoCon

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