N-[(Z)-1-(4-bromophenyl)-3-(4-chloroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C20H14N2O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1-(4-bromophenyl)-3-(4-chloroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(Z)-1-(4-bromophenyl)-3-(4-chloroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C20H14N2O3BrCl
Smiles	O=C(/C(/NC(c1ccco1)=O)=C/c(cc1)ccc1Br)Nc(cc1)ccc1Cl
InChI	InChI=1S/C20H14BrClN2O3/c21-14-5-3-13(4-6-14)12-17(24-20(26)18-2-1-11-27-18)19(25)23-16-9-7-15(22)8-10-16/h1-12H,(H,23,25)(H,24,26)
InChIK	IPYFYEIFNNJKAL-UHFFFAOYSA-N
TotalMolweight	445.699
Molweight	445.699
MonoisotopicMass	443.987631
CLogP	4.9437
CLogS	-6.125
H Acceptors	5
H Donors	2
TotalSurfaceArea	299.65
Relative PSA	0.21061
PolarSurfaceArea	71.34
Druglikeness	1.0989
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Amides	2
StereoCon

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