N'-[2-(2-fluorophenoxy)acetyl]-4-nitrobenzohydrazide

Formula:C15H12N3O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[2-(2-fluorophenoxy)acetyl]-4-nitrobenzohydrazide is a drug-like molecule.

MolNameN'-[2-(2-fluorophenoxy)acetyl]-4-nitrobenzohydrazide
MolecularFormulaC15H12N3O5F
Smiles[O-][N+](c(cc1)ccc1C(NNC(COc(cccc1)c1F)=O)=O)=O
InChIInChI=1S/C15H12FN3O5/c16-12-3-1-2-4-13(12)24-9-14(20)17-18-15(21)10-5-7-11(8-6-10)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKPTLYTGZPSYUELC-UHFFFAOYSA-N
TotalMolweight333.274
Molweight333.274
MonoisotopicMass333.0761
CLogP0.3717
CLogS-3.864
H Acceptors8
H Donors2
TotalSurfaceArea245.22
Relative PSA0.36465
PolarSurfaceArea113.25
Druglikeness-4.886
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms2
AcidicOxygens1
StereoCon

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