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

Formula:C21H21N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-bromo-N-[(2E,4E)-1-(3-hydroxypropylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.

MolName	3-bromo-N-[(2E,4E)-1-(3-hydroxypropylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C21H21N2O3Br
Smiles	OCCCNC(/C(/NC(c1cccc(Br)c1)=O)=C\C=C\c1ccccc1)=O
InChI	InChI=1S/C21H21BrN2O3/c22-18-11-5-10-17(15-18)20(26)24-19(21(27)23-13-6-14-25)12-4-9-16-7-2-1-3-8-16/h1-5,7-12,15,25H,6,13-14H2,(H,23,27)(H,24,26)
InChIK	VYIXWGDCTGPOCU-UHFFFAOYSA-N
TotalMolweight	429.313
Molweight	429.313
MonoisotopicMass	428.073554
CLogP	4.0309
CLogS	-4.575
H Acceptors	5
H Donors	3
TotalSurfaceArea	308.91
Relative PSA	0.20103
PolarSurfaceArea	78.43
Druglikeness	0.037751
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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