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N-[(Z)-[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Formula:C26H22N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.
MolNameN-[(Z)-[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
MolecularFormulaC26H22N4O6
SmilesO=C(c(cc1)cc2c1OCCO2)N/N=C\c1ccc(/C=N\NC(c(cc2)cc3c2OCCO3)=O)cc1
InChIInChI=1S/C26H22N4O6/c31-25(19-5-7-21-23(13-19)35-11-9-33-21)29-27-15-17-1-2-18(4-3-17)16-28-30-26(32)20-6-8-22-24(14-20)36-12-10-34-22/h1-8,13-16H,9-12H2,(H,29,31)(H,30,32)
InChIKFZTZCLKVTHPNFT-UHFFFAOYSA-N
TotalMolweight486.483
Molweight486.483
MonoisotopicMass486.153936
CLogP4.7012
CLogS-6.19
H Acceptors10
H Donors2
TotalSurfaceArea368.76
Relative PSA0.30377
PolarSurfaceArea119.84
Druglikeness-2.8595
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms36
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms8
Symmetricatoms19
StereoCon

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