2-(2-hydroxyphenoxy)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide

Formula:C16H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-(2-hydroxyphenoxy)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide is a drug-like molecule.

MolName2-(2-hydroxyphenoxy)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide
MolecularFormulaC16H15N3O5
SmilesC=C(c(cc1)ccc1[N+]([O-])=O)NNC(COc(cccc1)c1O)=O
InChIInChI=1S/C16H15N3O5/c1-11(12-6-8-13(9-7-12)19(22)23)17-18-16(21)10-24-15-5-3-2-4-14(15)20/h2-9,17,20H,1,10H2,(H,18,21)
InChIKXRZYYENDYRAFPR-UHFFFAOYSA-N
TotalMolweight329.311
Molweight329.311
MonoisotopicMass329.101172
CLogP0.4379
CLogS-3.579
H Acceptors8
H Donors3
TotalSurfaceArea250.22
Relative PSA0.35761
PolarSurfaceArea116.41
Druglikeness-6.1009
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms2
AcidicOxygens1
StereoCon

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