N-[(2E,4E)-1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-3-bromobenzamide

Formula:C25H21N2O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(2E,4E)-1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-3-bromobenzamide is not a drug-like molecule.

MolName	N-[(2E,4E)-1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-3-bromobenzamide
MolecularFormula	C25H21N2O2Br
Smiles	O=C(/C(/NC(c1cccc(Br)c1)=O)=C\C=C\c1ccccc1)NCc1ccccc1
InChI	InChI=1S/C25H21BrN2O2/c26-22-15-8-14-21(17-22)24(29)28-23(16-7-13-19-9-3-1-4-10-19)25(30)27-18-20-11-5-2-6-12-20/h1-17H,18H2,(H,27,30)(H,28,29)
InChIK	JDPIWBINCJTFGC-UHFFFAOYSA-N
TotalMolweight	461.358
Molweight	461.358
MonoisotopicMass	460.078639
CLogP	5.515
CLogS	-5.835
H Acceptors	4
H Donors	2
TotalSurfaceArea	334.8
Relative PSA	0.14636
PolarSurfaceArea	58.2
Druglikeness	1.7915
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

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