N,N'-bis[(Z)-(3-hydroxyphenyl)methylideneamino]hexanediamide

Formula:C20H22N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(3-hydroxyphenyl)methylideneamino]hexanediamide is a drug-like molecule.

MolNameN,N'-bis[(Z)-(3-hydroxyphenyl)methylideneamino]hexanediamide
MolecularFormulaC20H22N4O4
SmilesOc1cccc(/C=N\NC(CCCCC(N/N=C\c2cc(O)ccc2)=O)=O)c1
InChIInChI=1S/C20H22N4O4/c25-17-7-3-5-15(11-17)13-21-23-19(27)9-1-2-10-20(28)24-22-14-16-6-4-8-18(26)12-16/h3-8,11-14,25-26H,1-2,9-10H2,(H,23,27)(H,24,28)
InChIKFENXYARLMRIBSG-UHFFFAOYSA-N
TotalMolweight382.419
Molweight382.419
MonoisotopicMass382.164106
CLogP3.6646
CLogS-4.606
H Acceptors8
H Donors4
TotalSurfaceArea308.7
Relative PSA0.31817
PolarSurfaceArea123.38
Druglikeness-4.1501
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.71429
Fragments1
Non HAtoms28
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms14
StereoCon

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