2-amino-N'-[(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide

Formula:C17H14N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-amino-N'-[(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide is a drug-like molecule.

MolName2-amino-N'-[(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide
MolecularFormulaC17H14N3O4Cl
SmilesNc(cccc1)c1C(NNC(C(/C=C(/c(cc1)ccc1Cl)\O)=O)=O)=O
InChIInChI=1S/C17H14ClN3O4/c18-11-7-5-10(6-8-11)14(22)9-15(23)17(25)21-20-16(24)12-3-1-2-4-13(12)19/h1-9,22H,19H2,(H,20,24)(H,21,25)
InChIKXEXOZIWJEHQBED-UHFFFAOYSA-N
TotalMolweight359.768
Molweight359.768
MonoisotopicMass359.067284
CLogP0.5718
CLogS-3.947
H Acceptors7
H Donors4
TotalSurfaceArea264.19
Relative PSA0.34222
PolarSurfaceArea121.52
Druglikeness-0.10508
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64
Fragments1
Non HAtoms25
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms2
Amines1
Aromatic Amines1
StereoCon

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