[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(difluoromethoxy)benzoate

Formula:C17H13N3O7F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(difluoromethoxy)benzoate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(difluoromethoxy)benzoate
MolecularFormula	C17H13N3O7F2
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(c(cc1)ccc1OC(F)F)=O)=O)=O)=O
InChI	InChI=1S/C17H13F2N3O7/c18-17(19)29-13-7-3-11(4-8-13)16(25)28-9-14(23)20-21-15(24)10-1-5-12(6-2-10)22(26)27/h1-8,17H,9H2,(H,20,23)(H,21,24)
InChIK	PTKLLYMIRWDTJD-UHFFFAOYSA-N
TotalMolweight	409.3
Molweight	409.3
MonoisotopicMass	409.072158
CLogP	0.4233
CLogS	-4.295
H Acceptors	10
H Donors	2
TotalSurfaceArea	291.82
Relative PSA	0.38537
PolarSurfaceArea	139.55
Druglikeness	-5.0118
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	5
AcidicOxygens	1
StereoCon

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