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

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

MolName	2-bromo-N-[(E)-1-(furan-2-yl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C20H14N3O5Br
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c(cccc1)c1Br)=O)=C\c1ccco1)=O)=O
InChI	InChI=1S/C20H14BrN3O5/c21-17-6-2-1-5-16(17)19(25)23-18(12-15-4-3-11-29-15)20(26)22-13-7-9-14(10-8-13)24(27)28/h1-12H,(H,22,26)(H,23,25)
InChIK	KOHAQVYLPZRRRD-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	-4.1335
Mutagenic	high
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	2
Amides	2
AcidicOxygens	1
StereoCon

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