2-bromo-N-[(E)-3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Formula:C19H19N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-N-[(E)-3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	2-bromo-N-[(E)-3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C19H19N2O3Br
Smiles	OCCCNC(/C(/NC(c(cccc1)c1Br)=O)=C\c1ccccc1)=O
InChI	InChI=1S/C19H19BrN2O3/c20-16-10-5-4-9-15(16)18(24)22-17(19(25)21-11-6-12-23)13-14-7-2-1-3-8-14/h1-5,7-10,13,23H,6,11-12H2,(H,21,25)(H,22,24)
InChIK	YYJUGPOCMONFBK-UHFFFAOYSA-N
TotalMolweight	403.275
Molweight	403.275
MonoisotopicMass	402.057904
CLogP	3.3743
CLogS	-4.263
H Acceptors	5
H Donors	3
TotalSurfaceArea	282.41
Relative PSA	0.21989
PolarSurfaceArea	78.43
Druglikeness	-0.15965
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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