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

Formula:C18H15N2O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-3-bromobenzamide is a drug-like molecule.

MolName	N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-3-bromobenzamide
MolecularFormula	C18H15N2O2Br
Smiles	NC(/C(/NC(c1cccc(Br)c1)=O)=C\C=C\c1ccccc1)=O
InChI	InChI=1S/C18H15BrN2O2/c19-15-10-5-9-14(12-15)18(23)21-16(17(20)22)11-4-8-13-6-2-1-3-7-13/h1-12H,(H2,20,22)(H,21,23)
InChIK	OOHLILKYJZYXIQ-UHFFFAOYSA-N
TotalMolweight	371.233
Molweight	371.233
MonoisotopicMass	370.031689
CLogP	3.7454
CLogS	-4.596
H Acceptors	4
H Donors	2
TotalSurfaceArea	258.34
Relative PSA	0.20442
PolarSurfaceArea	72.19
Druglikeness	1.5485
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
Amides	2
StereoCon

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