[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino] furan-2-carboxylate
Formula:C19H13NO4Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino] furan-2-carboxylate is not a drug-like molecule.
| MolName | [(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino] furan-2-carboxylate |
| MolecularFormula | C19H13NO4Cl2 |
| Smiles | O=C(c1ccco1)O/N=C\c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C19H13Cl2NO4/c20-15-6-5-14(17(21)10-15)12-25-16-7-3-13(4-8-16)11-22-26-19(23)18-2-1-9-24-18/h1-11H,12H2 |
| InChIK | OVEJKPNXFULDKP-UHFFFAOYSA-N |
| TotalMolweight | 390.221 |
| Molweight | 390.221 |
| MonoisotopicMass | 389.022163 |
| CLogP | 5.6669 |
| CLogS | -6.266 |
| H Acceptors | 5 |
| TotalSurfaceArea | 289.58 |
| Relative PSA | 0.20257 |
| PolarSurfaceArea | 61.03 |
| Druglikeness | -2.6282 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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