N-[(Z)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide

Formula:C22H16N3OBr Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
MolecularFormula	C22H16N3OBr
Smiles	O=C(c([nH]c(cc1)c2cc1Br)c2-c1ccccc1)N/N=C\c1ccccc1
InChI	InChI=1S/C22H16BrN3O/c23-17-11-12-19-18(13-17)20(16-9-5-2-6-10-16)21(25-19)22(27)26-24-14-15-7-3-1-4-8-15/h1-14,25H,(H,26,27)
InChIK	RORNMNZPJAKSQR-UHFFFAOYSA-N
TotalMolweight	418.293
Molweight	418.293
MonoisotopicMass	417.047673
CLogP	5.6794
CLogS	-7.19
H Acceptors	4
H Donors	2
TotalSurfaceArea	289.55
Relative PSA	0.17268
PolarSurfaceArea	57.25
Druglikeness	3.8306
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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