[4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
Formula:C26H18N3O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate |
| MolecularFormula | C26H18N3O4Cl |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1cccc(Cl)c1)=O)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C26H18ClN3O4/c27-20-8-3-7-19(15-20)26(33)34-21-13-11-17(12-14-21)16-28-30-25(32)24(31)29-23-10-4-6-18-5-1-2-9-22(18)23/h1-16H,(H,29,31)(H,30,32) |
| InChIK | DKBQMZREKHUMIP-UHFFFAOYSA-N |
| TotalMolweight | 471.899 |
| Molweight | 471.899 |
| MonoisotopicMass | 471.098584 |
| CLogP | 5.3748 |
| CLogS | -7.337 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 353.73 |
| Relative PSA | 0.2362 |
| 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 | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate | 2 - [4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
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