[1-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C30H20N3O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C30H20N3O4Cl |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C30H20ClN3O4/c31-22-15-12-21(13-16-22)30(37)38-27-17-14-20-7-1-3-9-23(20)25(27)18-32-34-29(36)28(35)33-26-11-5-8-19-6-2-4-10-24(19)26/h1-18H,(H,33,35)(H,34,36) |
| InChIK | VEHRLMVOPVZHJJ-UHFFFAOYSA-N |
| TotalMolweight | 521.959 |
| Molweight | 521.959 |
| MonoisotopicMass | 521.114234 |
| CLogP | 6.5692 |
| CLogS | -8.943 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 388.33 |
| Relative PSA | 0.21515 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.4163 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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