N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C19H12N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C19H12N2O4Cl2 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C19H12Cl2N2O4/c20-14-4-1-11(7-15(14)21)16-6-3-13(27-16)9-22-23-19(24)12-2-5-17-18(8-12)26-10-25-17/h1-9H,10H2,(H,23,24) |
| InChIK | KYVFAVXBINRRGR-UHFFFAOYSA-N |
| TotalMolweight | 403.22 |
| Molweight | 403.22 |
| MonoisotopicMass | 402.017412 |
| CLogP | 5.4639 |
| CLogS | -7.364 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 287.54 |
| Relative PSA | 0.24386 |
| PolarSurfaceArea | 73.06 |
| Druglikeness | 6.4433 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| StereoCon |
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