[1-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C29H19N2O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C29H19N2O3Cl |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C29H19ClN2O3/c30-22-15-12-21(13-16-22)29(34)35-27-17-14-20-7-2-4-10-24(20)26(27)18-31-32-28(33)25-11-5-8-19-6-1-3-9-23(19)25/h1-18H,(H,32,33) |
| InChIK | UHXJZLCFKGWIHZ-UHFFFAOYSA-N |
| TotalMolweight | 478.934 |
| Molweight | 478.934 |
| MonoisotopicMass | 478.10842 |
| CLogP | 7.6269 |
| CLogS | -9.139 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 359.12 |
| Relative PSA | 0.16443 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0416 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [1-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
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