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

Formula:C19H18N2O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-1-(4-chlorophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(E)-1-(4-chlorophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C19H18N2O3BrCl
Smiles	OCCCNC(/C(/NC(c(cc1)ccc1Br)=O)=C\c(cc1)ccc1Cl)=O
InChI	InChI=1S/C19H18BrClN2O3/c20-15-6-4-14(5-7-15)18(25)23-17(19(26)22-10-1-11-24)12-13-2-8-16(21)9-3-13/h2-9,12,24H,1,10-11H2,(H,22,26)(H,23,25)
InChIK	OECMXANMDSLUHS-UHFFFAOYSA-N
TotalMolweight	437.72
Molweight	437.72
MonoisotopicMass	436.018931
CLogP	3.9803
CLogS	-4.999
H Acceptors	5
H Donors	3
TotalSurfaceArea	297.83
Relative PSA	0.20851
PolarSurfaceArea	78.43
Druglikeness	-0.099863
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	2
StereoCon

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