N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C22H15N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C22H15N2O3Br |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1ccc(-c(cc2)ccc2Br)o1)=O |
| InChI | InChI=1S/C22H15BrN2O3/c23-17-7-5-14(6-8-17)21-10-9-18(28-21)13-24-25-22(27)19-11-15-3-1-2-4-16(15)12-20(19)26/h1-13,26H,(H,25,27) |
| InChIK | QFBRYQDDXIKEKR-UHFFFAOYSA-N |
| TotalMolweight | 435.276 |
| Molweight | 435.276 |
| MonoisotopicMass | 434.026604 |
| CLogP | 5.7144 |
| CLogS | -7.325 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 296.02 |
| Relative PSA | 0.21357 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 4.6642 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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