5-bromo-N-[(E)-3-(4-nitroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide

Formula:C20H14N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-bromo-N-[(E)-3-(4-nitroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	5-bromo-N-[(E)-3-(4-nitroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C20H14N3O5Br
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c(o1)ccc1Br)=O)=C\c1ccccc1)=O)=O
InChI	InChI=1S/C20H14BrN3O5/c21-18-11-10-17(29-18)20(26)23-16(12-13-4-2-1-3-5-13)19(25)22-14-6-8-15(9-7-14)24(27)28/h1-12H,(H,22,25)(H,23,26)
InChIK	FQYMTZYEUFASFB-UHFFFAOYSA-N
TotalMolweight	456.251
Molweight	456.251
MonoisotopicMass	455.011683
CLogP	3.5135
CLogS	-5.612
H Acceptors	8
H Donors	2
TotalSurfaceArea	307.9
Relative PSA	0.30377
PolarSurfaceArea	117.16
Druglikeness	-4.2896
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51724
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	4
Amides	2
AcidicOxygens	1
StereoCon

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