[3-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C26H17N3O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[3-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C26H17N3O4Cl2 |
| Smiles | O=C(C(N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C26H17Cl2N3O4/c27-18-11-12-21(22(28)14-18)26(34)35-19-8-3-5-16(13-19)15-29-31-25(33)24(32)30-23-10-4-7-17-6-1-2-9-20(17)23/h1-15H,(H,30,32)(H,31,33) |
| InChIK | PJHRYYIMIUJPCP-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 | high |
| 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 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off