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

Formula:C18H17N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	2-bromo-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C18H17N2O3Br
Smiles	OCCNC(/C(/NC(c(cccc1)c1Br)=O)=C\c1ccccc1)=O
InChI	InChI=1S/C18H17BrN2O3/c19-15-9-5-4-8-14(15)17(23)21-16(18(24)20-10-11-22)12-13-6-2-1-3-7-13/h1-9,12,22H,10-11H2,(H,20,24)(H,21,23)
InChIK	ANLYFFJMKFHAGQ-UHFFFAOYSA-N
TotalMolweight	389.248
Molweight	389.248
MonoisotopicMass	388.042254
CLogP	2.9199
CLogS	-3.993
H Acceptors	5
H Donors	3
TotalSurfaceArea	268.65
Relative PSA	0.23116
PolarSurfaceArea	78.43
Druglikeness	1.671
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

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