N-[(E)-3-(4-bromoanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-chlorobenzamide

Formula:C20H14N2O3BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-3-(4-bromoanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-chlorobenzamide is a drug-like molecule.

MolName	N-[(E)-3-(4-bromoanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-chlorobenzamide
MolecularFormula	C20H14N2O3BrCl
Smiles	O=C(/C(/NC(c(cc1)ccc1Cl)=O)=C\c1ccco1)Nc(cc1)ccc1Br
InChI	InChI=1S/C20H14BrClN2O3/c21-14-5-9-16(10-6-14)23-20(26)18(12-17-2-1-11-27-17)24-19(25)13-3-7-15(22)8-4-13/h1-12H,(H,23,26)(H,24,25)
InChIK	XOVWYFUAUDNDBI-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	0.9477
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
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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