[4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C26H17N3O4Cl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C26H17N3O4Cl2 |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O)=O)Nc1cccc(Cl)c1Cl |
| InChI | InChI=1S/C26H17Cl2N3O4/c27-21-9-4-10-22(23(21)28)30-24(32)25(33)31-29-15-16-11-13-18(14-12-16)35-26(34)20-8-3-6-17-5-1-2-7-19(17)20/h1-15H,(H,30,32)(H,31,33) |
| InChIK | PEYOTZVHZJONFR-UHFFFAOYSA-N |
| TotalMolweight | 506.344 |
| Molweight | 506.344 |
| MonoisotopicMass | 505.059611 |
| CLogP | 5.9808 |
| CLogS | -8.073 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 369.15 |
| Relative PSA | 0.22633 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.4163 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate | 2 - [4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
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