N'-[(E)-(3-bromophenyl)methylideneamino]-N-(4-chlorophenyl)butanediamide

Formula:C17H15N3O2BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(E)-(3-bromophenyl)methylideneamino]-N-(4-chlorophenyl)butanediamide is a drug-like molecule.

MolName	N'-[(E)-(3-bromophenyl)methylideneamino]-N-(4-chlorophenyl)butanediamide
MolecularFormula	C17H15N3O2BrCl
Smiles	O=C(CCC(N/N=C/c1cccc(Br)c1)=O)Nc(cc1)ccc1Cl
InChI	InChI=1S/C17H15BrClN3O2/c18-13-3-1-2-12(10-13)11-20-22-17(24)9-8-16(23)21-15-6-4-14(19)5-7-15/h1-7,10-11H,8-9H2,(H,21,23)(H,22,24)
InChIK	QYOMCLRPSNUZSJ-UHFFFAOYSA-N
TotalMolweight	408.682
Molweight	408.682
MonoisotopicMass	407.003615
CLogP	4.3839
CLogS	-5.635
H Acceptors	5
H Donors	2
TotalSurfaceArea	277.77
Relative PSA	0.21784
PolarSurfaceArea	70.56
Druglikeness	1.8312
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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