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

Formula:C20H14N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(3-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(3-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C20H14N3O5Br
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c1ccco1)=O)=C\c1cccc(Br)c1)=O)=O
InChI	InChI=1S/C20H14BrN3O5/c21-14-4-1-3-13(11-14)12-17(23-20(26)18-5-2-10-29-18)19(25)22-15-6-8-16(9-7-15)24(27)28/h1-12H,(H,22,25)(H,23,26)
InChIK	BZWIIGLWDNTFDD-UHFFFAOYSA-N
TotalMolweight	456.251
Molweight	456.251
MonoisotopicMass	455.011683
CLogP	3.4161
CLogS	-5.849
H Acceptors	8
H Donors	2
TotalSurfaceArea	307.9
Relative PSA	0.30377
PolarSurfaceArea	117.16
Druglikeness	-3.9783
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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