[1-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate

Formula:C25H16N2O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [1-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.

MolName[1-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
MolecularFormulaC25H16N2O5Cl2
SmilesOc(cc1)cc(O)c1C(N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O)=O
InChIInChI=1S/C25H16Cl2N2O5/c26-15-6-8-18(21(27)11-15)25(33)34-23-10-5-14-3-1-2-4-17(14)20(23)13-28-29-24(32)19-9-7-16(30)12-22(19)31/h1-13,30-31H,(H,29,32)
InChIKOLMYYEVAJPIPJY-UHFFFAOYSA-N
TotalMolweight495.317
Molweight495.317
MonoisotopicMass494.043627
CLogP6.3471
CLogS-7.677
H Acceptors7
H Donors3
TotalSurfaceArea352.64
Relative PSA0.24175
PolarSurfaceArea108.22
Druglikeness4.0444
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantlow
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.52941
Fragments1
Non HAtoms34
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms3
StereoCon

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