[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenoxyacetate

Formula:C17H15N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenoxyacetate is a drug-like molecule.

MolName[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenoxyacetate
MolecularFormulaC17H15N3O7
Smiles[O-][N+](c(cc1)ccc1C(NNC(COC(COc1ccccc1)=O)=O)=O)=O
InChIInChI=1S/C17H15N3O7/c21-15(10-27-16(22)11-26-14-4-2-1-3-5-14)18-19-17(23)12-6-8-13(9-7-12)20(24)25/h1-9H,10-11H2,(H,18,21)(H,19,23)
InChIKSLSBDGVMDIUJBI-UHFFFAOYSA-N
TotalMolweight373.32
Molweight373.32
MonoisotopicMass373.091002
CLogP-0.1712
CLogS-3.453
H Acceptors10
H Donors2
TotalSurfaceArea280.38
Relative PSA0.4011
PolarSurfaceArea139.55
Druglikeness-2.2466
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.7037
Fragments1
Non HAtoms27
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms4
AcidicOxygens1
StereoCon

Request More Details | [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenoxyacetate


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments