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

Formula:C16H12N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-bromobenzoate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-bromobenzoate
MolecularFormula	C16H12N3O6Br
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(c1cccc(Br)c1)=O)=O)=O)=O
InChI	InChI=1S/C16H12BrN3O6/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	LAXNVARDOXVJMP-UHFFFAOYSA-N
TotalMolweight	422.19
Molweight	422.19
MonoisotopicMass	420.990948
CLogP	0.9791
CLogS	-4.507
H Acceptors	9
H Donors	2
TotalSurfaceArea	275.25
Relative PSA	0.37224
PolarSurfaceArea	130.32
Druglikeness	-4.0366
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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