phenyl (1E)-2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonate

Formula:C20H16N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none phenyl (1E)-2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonate is a drug-like molecule.

MolNamephenyl (1E)-2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonate
MolecularFormulaC20H16N4O4
Smiles[O-][N+](c(cc1)ccc1N/N=C(\C(Nc1ccccc1)=O)/Oc1ccccc1)=O
InChIInChI=1S/C20H16N4O4/c25-19(21-15-7-3-1-4-8-15)20(28-18-9-5-2-6-10-18)23-22-16-11-13-17(14-12-16)24(26)27/h1-14,22H,(H,21,25)
InChIKZNOUESGWRKHAPJ-UHFFFAOYSA-N
TotalMolweight376.371
Molweight376.371
MonoisotopicMass376.117156
CLogP4.3588
CLogS-4.559
H Acceptors8
H Donors2
TotalSurfaceArea290.09
Relative PSA0.30297
PolarSurfaceArea108.54
Druglikeness-1.9509
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.53571
Fragments1
Non HAtoms28
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms6
Amides1
AcidicOxygens1
StereoCon

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