[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-naphthalen-1-ylacetate

Formula:C21H17N3O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-naphthalen-1-ylacetate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-naphthalen-1-ylacetate
MolecularFormula	C21H17N3O6
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(Cc1cccc2ccccc12)=O)=O)=O)=O
InChI	InChI=1S/C21H17N3O6/c25-19(22-23-21(27)15-8-10-17(11-9-15)24(28)29)13-30-20(26)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11H,12-13H2,(H,22,25)(H,23,27)
InChIK	UOJWZHBRYANRRU-UHFFFAOYSA-N
TotalMolweight	407.381
Molweight	407.381
MonoisotopicMass	407.111737
CLogP	1.4464
CLogS	-5.244
H Acceptors	9
H Donors	2
TotalSurfaceArea	304.98
Relative PSA	0.33596
PolarSurfaceArea	130.32
Druglikeness	-3.0875
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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