[4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C19H13N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C19H13N3O6 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c(cc2)ccc2OC(c2ccco2)=O)=O)ccc1)=O |
| InChI | InChI=1S/C19H13N3O6/c23-18(14-3-1-4-15(11-14)22(25)26)21-20-12-13-6-8-16(9-7-13)28-19(24)17-5-2-10-27-17/h1-12H,(H,21,23) |
| InChIK | DVDYASLEXGFMJE-UHFFFAOYSA-N |
| TotalMolweight | 379.327 |
| Molweight | 379.327 |
| MonoisotopicMass | 379.080437 |
| CLogP | 2.8992 |
| CLogS | -5.333 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 287.86 |
| Relative PSA | 0.35983 |
| PolarSurfaceArea | 126.72 |
| Druglikeness | -0.7973 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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