N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide
Formula:C22H14N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C22H14N2O3Cl2 |
| Smiles | Oc(c1ccccc1cc1)c1C(N/N=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1)=O |
| InChI | InChI=1S/C22H14Cl2N2O3/c23-14-6-9-19(24)18(11-14)20-10-7-15(29-20)12-25-26-22(28)17-8-5-13-3-1-2-4-16(13)21(17)27/h1-12,27H,(H,26,28) |
| InChIK | PDVDQHBZKUQKHF-UHFFFAOYSA-N |
| TotalMolweight | 425.27 |
| Molweight | 425.27 |
| MonoisotopicMass | 424.038147 |
| CLogP | 6.2012 |
| CLogS | -7.963 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 308.23 |
| Relative PSA | 0.20511 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 6.4823 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide | 2 - N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide
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