[1-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C29H19N2O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C29H19N2O4Cl |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C29H19ClN2O4/c30-25-12-6-5-11-22(25)29(35)36-27-14-13-18-7-3-4-10-21(18)24(27)17-31-32-28(34)23-15-19-8-1-2-9-20(19)16-26(23)33/h1-17,33H,(H,32,34) |
| InChIK | PCQWCIUDVIMUBQ-UHFFFAOYSA-N |
| TotalMolweight | 494.933 |
| Molweight | 494.933 |
| MonoisotopicMass | 494.103335 |
| CLogP | 7.2812 |
| CLogS | -8.843 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 365.47 |
| Relative PSA | 0.19742 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 4.0444 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - [1-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
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