[4-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C24H19N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C24H19N3O4 |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\c(cc1)ccc1OC(c1ccco1)=O |
| InChI | InChI=1S/C24H19N3O4/c28-23(16-25-21-8-3-6-18-5-1-2-7-20(18)21)27-26-15-17-10-12-19(13-11-17)31-24(29)22-9-4-14-30-22/h1-15,25H,16H2,(H,27,28) |
| InChIK | CIVWESNNGAQZRV-UHFFFAOYSA-N |
| TotalMolweight | 413.432 |
| Molweight | 413.432 |
| MonoisotopicMass | 413.137557 |
| CLogP | 4.3071 |
| CLogS | -6.301 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 324.01 |
| Relative PSA | 0.26116 |
| PolarSurfaceArea | 92.93 |
| Druglikeness | 4.8994 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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