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

Formula:C18H13N2O4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-3-(3-bromoanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-(3-bromoanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C18H13N2O4Br
Smiles	O=C(/C(/NC(c1ccco1)=O)=C\c1ccco1)Nc1cccc(Br)c1
InChI	InChI=1S/C18H13BrN2O4/c19-12-4-1-5-13(10-12)20-17(22)15(11-14-6-2-8-24-14)21-18(23)16-7-3-9-25-16/h1-11H,(H,20,22)(H,21,23)
InChIK	CQXKLTXKBHYBCV-UHFFFAOYSA-N
TotalMolweight	401.215
Molweight	401.215
MonoisotopicMass	400.005869
CLogP	3.5264
CLogS	-5.071
H Acceptors	6
H Donors	2
TotalSurfaceArea	273.92
Relative PSA	0.28191
PolarSurfaceArea	84.48
Druglikeness	1.0266
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Amides	2
StereoCon

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