[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate

Formula:C17H14N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
MolecularFormula	C17H14N3O6Cl
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(Cc(cc1)ccc1Cl)=O)=O)=O)=O
InChI	InChI=1S/C17H14ClN3O6/c18-13-5-1-11(2-6-13)9-16(23)27-10-15(22)19-20-17(24)12-3-7-14(8-4-12)21(25)26/h1-8H,9-10H2,(H,19,22)(H,20,24)
InChIK	ZGYAVBWMUPCIMS-UHFFFAOYSA-N
TotalMolweight	391.766
Molweight	391.766
MonoisotopicMass	391.057114
CLogP	0.858
CLogS	-4.374
H Acceptors	9
H Donors	2
TotalSurfaceArea	285.8
Relative PSA	0.3585
PolarSurfaceArea	130.32
Druglikeness	-3.0115
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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