(E)-N'-[2-(4-nitrophenoxy)acetyl]-3-phenylprop-2-enehydrazide

Formula:C17H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N'-[2-(4-nitrophenoxy)acetyl]-3-phenylprop-2-enehydrazide is a drug-like molecule.

MolName(E)-N'-[2-(4-nitrophenoxy)acetyl]-3-phenylprop-2-enehydrazide
MolecularFormulaC17H15N3O5
Smiles[O-][N+](c(cc1)ccc1OCC(NNC(/C=C/c1ccccc1)=O)=O)=O
InChIInChI=1S/C17H15N3O5/c21-16(11-6-13-4-2-1-3-5-13)18-19-17(22)12-25-15-9-7-14(8-10-15)20(23)24/h1-11H,12H2,(H,18,21)(H,19,22)
InChIKCXKZNXHIDRLLGV-UHFFFAOYSA-N
TotalMolweight341.322
Molweight341.322
MonoisotopicMass341.101172
CLogP0.6001
CLogS-3.92
H Acceptors8
H Donors2
TotalSurfaceArea265.37
Relative PSA0.33696
PolarSurfaceArea113.25
Druglikeness-4.5359
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.72
Fragments1
Non HAtoms25
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms4
AcidicOxygens1
StereoCon

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