N-[(Z)-3-(benzylamino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide

Formula:C23H18N3O4F Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-3-(benzylamino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide is a drug-like molecule.

MolName	N-[(Z)-3-(benzylamino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
MolecularFormula	C23H18N3O4F
Smiles	[O-][N+](c(cc1)ccc1C(N/C(/C(NCc1ccccc1)=O)=C\c(cccc1)c1F)=O)=O
InChI	InChI=1S/C23H18FN3O4/c24-20-9-5-4-8-18(20)14-21(23(29)25-15-16-6-2-1-3-7-16)26-22(28)17-10-12-19(13-11-17)27(30)31/h1-14H,15H2,(H,25,29)(H,26,28)
InChIK	SMZBGMJCXCHJBW-UHFFFAOYSA-N
TotalMolweight	419.411
Molweight	419.411
MonoisotopicMass	419.128135
CLogP	3.3124
CLogS	-5.463
H Acceptors	7
H Donors	2
TotalSurfaceArea	319.69
Relative PSA	0.24843
PolarSurfaceArea	104.02
Druglikeness	-3.0147
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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