C19H19N4O6Cl | Cheminformatics

(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-(4-methoxy-2-nitrophenyl)butanamide

Formula:C19H19N4O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-(4-methoxy-2-nitrophenyl)butanamide is a drug-like molecule.

MolName(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-(4-methoxy-2-nitrophenyl)butanamide
MolecularFormulaC19H19N4O6Cl
SmilesC/C(/CC(Nc(ccc(OC)c1)c1[N+]([O-])=O)=O)=N/NC(COc(cc1)ccc1Cl)=O
InChIInChI=1S/C19H19ClN4O6/c1-12(22-23-19(26)11-30-14-5-3-13(20)4-6-14)9-18(25)21-16-8-7-15(29-2)10-17(16)24(27)28/h3-8,10H,9,11H2,1-2H3,(H,21,25)(H,23,26)
InChIKMVLYQJDLQHIACN-UHFFFAOYSA-N
TotalMolweight434.835
Molweight434.835
MonoisotopicMass434.099313
CLogP2.0171
CLogS-4.925
H Acceptors10
H Donors2
TotalSurfaceArea325.54
Relative PSA0.34076
PolarSurfaceArea134.84
Druglikeness-1.0671
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone
Shape Index0.66667
Fragments1
Non HAtoms30
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms7
Symmetricatoms2
Amides1
AcidicOxygens1
StereoCon

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