N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
Formula:C22H15N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C22H15N2O2Cl |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c1ccc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C22H15ClN2O2/c23-17-10-8-16(9-11-17)21-13-12-18(27-21)14-24-25-22(26)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H,(H,25,26) |
| InChIK | HPIYCRFMQQZVFC-UHFFFAOYSA-N |
| TotalMolweight | 374.826 |
| Molweight | 374.826 |
| MonoisotopicMass | 374.082205 |
| CLogP | 5.9409 |
| CLogS | -7.523 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.46 |
| Relative PSA | 0.17496 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 6.4937 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| StereoCon |
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