[1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C30H21N2O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C30H21N2O4Cl |
| Smiles | O=C(COc1cccc2ccccc12)N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C30H21ClN2O4/c31-23-15-12-22(13-16-23)30(35)37-28-17-14-21-7-1-3-9-24(21)26(28)18-32-33-29(34)19-36-27-11-5-8-20-6-2-4-10-25(20)27/h1-18H,19H2,(H,33,34) |
| InChIK | FUIXZZUVLYUBCA-UHFFFAOYSA-N |
| TotalMolweight | 508.96 |
| Molweight | 508.96 |
| MonoisotopicMass | 508.118985 |
| CLogP | 7.2018 |
| CLogS | -8.919 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 382.88 |
| Relative PSA | 0.18034 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.0206 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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