[3-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C27H20N3O4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[3-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C27H20N3O4Cl |
| Smiles | O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c1cccc(OC(c(cc2)ccc2Cl)=O)c1 |
| InChI | InChI=1S/C27H20ClN3O4/c28-21-13-11-20(12-14-21)27(34)35-22-8-3-5-18(15-22)16-30-31-25(32)17-29-26(33)24-10-4-7-19-6-1-2-9-23(19)24/h1-16H,17H2,(H,29,33)(H,31,32) |
| InChIK | VOVDLVUIJXTQIP-UHFFFAOYSA-N |
| TotalMolweight | 485.926 |
| Molweight | 485.926 |
| MonoisotopicMass | 485.114234 |
| CLogP | 5.5162 |
| CLogS | -7.3 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 367.49 |
| Relative PSA | 0.22735 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 5.1016 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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