3-bromo-N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

Formula:C20H19N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-bromo-N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.

MolName	3-bromo-N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C20H19N2O3Br
Smiles	OCCNC(/C(/NC(c1cccc(Br)c1)=O)=C\C=C\c1ccccc1)=O
InChI	InChI=1S/C20H19BrN2O3/c21-17-10-5-9-16(14-17)19(25)23-18(20(26)22-12-13-24)11-4-8-15-6-2-1-3-7-15/h1-11,14,24H,12-13H2,(H,22,26)(H,23,25)
InChIK	CDPGLPORRHXMTA-UHFFFAOYSA-N
TotalMolweight	415.286
Molweight	415.286
MonoisotopicMass	414.057904
CLogP	3.5765
CLogS	-4.305
H Acceptors	5
H Donors	3
TotalSurfaceArea	295.15
Relative PSA	0.2104
PolarSurfaceArea	78.43
Druglikeness	1.8564
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

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