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

Formula:C17H14N3O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-fluorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide is a drug-like molecule.

MolName(E)-3-(4-fluorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide
MolecularFormulaC17H14N3O5F
Smiles[O-][N+](c(cc1)ccc1OCC(NNC(/C=C/c(cc1)ccc1F)=O)=O)=O
InChIInChI=1S/C17H14FN3O5/c18-13-4-1-12(2-5-13)3-10-16(22)19-20-17(23)11-26-15-8-6-14(7-9-15)21(24)25/h1-10H,11H2,(H,19,22)(H,20,23)
InChIKGHFFSOPNAMRWOO-UHFFFAOYSA-N
TotalMolweight359.312
Molweight359.312
MonoisotopicMass359.09175
CLogP0.7009
CLogS-4.234
H Acceptors8
H Donors2
TotalSurfaceArea271.72
Relative PSA0.32909
PolarSurfaceArea113.25
Druglikeness-5.8759
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.73077
Fragments1
Non HAtoms26
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms4
AcidicOxygens1
StereoCon

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