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

Formula:C22H16N3O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(4-fluorophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(4-fluorophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H16N3O4F
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1F)=O)=O
InChI	InChI=1S/C22H16FN3O4/c23-17-8-6-15(7-9-17)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-12-19(13-11-18)26(29)30/h1-14H,(H,24,28)(H,25,27)
InChIK	BDEVPPWNUIGZHY-UHFFFAOYSA-N
TotalMolweight	405.384
Molweight	405.384
MonoisotopicMass	405.112485
CLogP	3.603
CLogS	-5.647
H Acceptors	7
H Donors	2
TotalSurfaceArea	305.93
Relative PSA	0.2596
PolarSurfaceArea	104.02
Druglikeness	-3.4578
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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