[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

Formula:C19H16N3O7F Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
MolecularFormula	C19H16N3O7F
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(CCC(c(cc1)ccc1F)=O)=O)=O)=O)=O
InChI	InChI=1S/C19H16FN3O7/c20-14-5-1-12(2-6-14)16(24)9-10-18(26)30-11-17(25)21-22-19(27)13-3-7-15(8-4-13)23(28)29/h1-8H,9-11H2,(H,21,25)(H,22,27)
InChIK	NXMYMJYBNBZPAX-UHFFFAOYSA-N
TotalMolweight	417.348
Molweight	417.348
MonoisotopicMass	417.09723
CLogP	0.3733
CLogS	-4.673
H Acceptors	10
H Donors	2
TotalSurfaceArea	308.24
Relative PSA	0.37471
PolarSurfaceArea	147.39
Druglikeness	-5.865
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.7
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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1 - [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate | 2 - [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

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