[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] naphthalene-1-carboxylate

Formula:C20H15N3O6 Mutagenic:low Tumorigenic:high Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] naphthalene-1-carboxylate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] naphthalene-1-carboxylate
MolecularFormula	C20H15N3O6
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(c1cccc2ccccc12)=O)=O)=O)=O
InChI	InChI=1S/C20H15N3O6/c24-18(21-22-19(25)14-8-10-15(11-9-14)23(27)28)12-29-20(26)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,21,24)(H,22,25)
InChIK	PJGDWDBTDTYCHL-UHFFFAOYSA-N
TotalMolweight	393.354
Molweight	393.354
MonoisotopicMass	393.096087
CLogP	1.4483
CLogS	-5.279
H Acceptors	9
H Donors	2
TotalSurfaceArea	291.22
Relative PSA	0.35183
PolarSurfaceArea	130.32
Druglikeness	-2.2466
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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