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[1-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate

Formula:C26H16N2O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [1-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.
MolName[1-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
MolecularFormulaC26H16N2O5Cl2
SmilesO=C(c(cc1)cc2c1OCO2)N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O
InChIInChI=1S/C26H16Cl2N2O5/c27-17-7-8-19(21(28)12-17)26(32)35-22-9-5-15-3-1-2-4-18(15)20(22)13-29-30-25(31)16-6-10-23-24(11-16)34-14-33-23/h1-13H,14H2,(H,30,31)
InChIKDIQORPDOAUNOSG-UHFFFAOYSA-N
TotalMolweight507.328
Molweight507.328
MonoisotopicMass506.043627
CLogP7.1499
CLogS-8.98
H Acceptors7
H Donors1
TotalSurfaceArea360.2
Relative PSA0.21946
PolarSurfaceArea86.22
Druglikeness4.0013
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantlow
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.51429
Fragments1
Non HAtoms35
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms4
StereoCon

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