[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-chlorobenzoate

Formula:C16H12N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-chlorobenzoate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-chlorobenzoate
MolecularFormula	C16H12N3O6Cl
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(c1cccc(Cl)c1)=O)=O)=O)=O
InChI	InChI=1S/C16H12ClN3O6/c17-12-3-1-2-11(8-12)16(23)26-9-14(21)18-19-15(22)10-4-6-13(7-5-10)20(24)25/h1-8H,9H2,(H,18,21)(H,19,22)
InChIK	TWACWVADVOQSLV-UHFFFAOYSA-N
TotalMolweight	377.739
Molweight	377.739
MonoisotopicMass	377.041464
CLogP	0.8599
CLogS	-4.409
H Acceptors	9
H Donors	2
TotalSurfaceArea	272.04
Relative PSA	0.37664
PolarSurfaceArea	130.32
Druglikeness	-2.1751
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-chlorobenzoate | 2 - [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-chlorobenzoate

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