[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate

Formula:C17H13N3O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C17H13N3O8
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(c(cc1)cc2c1OCO2)=O)=O)=O)=O
InChI	InChI=1S/C17H13N3O8/c21-15(18-19-16(22)10-1-4-12(5-2-10)20(24)25)8-26-17(23)11-3-6-13-14(7-11)28-9-27-13/h1-7H,8-9H2,(H,18,21)(H,19,22)
InChIK	GHLLMMBPXPKSLU-UHFFFAOYSA-N
TotalMolweight	387.303
Molweight	387.303
MonoisotopicMass	387.070267
CLogP	0.3653
CLogS	-4.384
H Acceptors	11
H Donors	2
TotalSurfaceArea	276.88
Relative PSA	0.44229
PolarSurfaceArea	148.78
Druglikeness	-2.26
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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