N-[(E)-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]amino]aniline

Formula:C21H17N2Br Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(E)-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]amino]aniline is not a drug-like molecule.

MolName	N-[(E)-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]amino]aniline
MolecularFormula	C21H17N2Br
Smiles	Brc(cc1)ccc1/C(/C=C/c1ccccc1)=N/Nc1ccccc1
InChI	InChI=1S/C21H17BrN2/c22-19-14-12-18(13-15-19)21(16-11-17-7-3-1-4-8-17)24-23-20-9-5-2-6-10-20/h1-16,23H
InChIK	VQXLBFLPPFHRLB-UHFFFAOYSA-N
TotalMolweight	377.284
Molweight	377.284
MonoisotopicMass	376.057509
CLogP	7.277
CLogS	-5.883
H Acceptors	2
H Donors	1
TotalSurfaceArea	272.34
Relative PSA	0.084343
PolarSurfaceArea	24.39
Druglikeness	-0.49599
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	6
StereoCon

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