4-bromo-N-[(E)-1-(4-chlorophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C18H16N2O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-1-(4-chlorophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(E)-1-(4-chlorophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C18H16N2O3BrCl
Smiles	OCCNC(/C(/NC(c(cc1)ccc1Br)=O)=C\c(cc1)ccc1Cl)=O
InChI	InChI=1S/C18H16BrClN2O3/c19-14-5-3-13(4-6-14)17(24)22-16(18(25)21-9-10-23)11-12-1-7-15(20)8-2-12/h1-8,11,23H,9-10H2,(H,21,25)(H,22,24)
InChIK	WIBNJHBDKKVZMU-UHFFFAOYSA-N
TotalMolweight	423.693
Molweight	423.693
MonoisotopicMass	422.003281
CLogP	3.5259
CLogS	-4.729
H Acceptors	5
H Donors	3
TotalSurfaceArea	284.07
Relative PSA	0.21861
PolarSurfaceArea	78.43
Druglikeness	1.7263
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	2
StereoCon

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