N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide
Formula:C20H15N2O2Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C20H15N2O2Br |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\C(\Br)=C\c1ccccc1)=O |
| InChI | InChI=1S/C20H15BrN2O2/c21-17(10-14-6-2-1-3-7-14)13-22-23-20(25)18-11-15-8-4-5-9-16(15)12-19(18)24/h1-13,24H,(H,23,25) |
| InChIK | FEQKZKJDQHLTMY-UHFFFAOYSA-N |
| TotalMolweight | 395.255 |
| Molweight | 395.255 |
| MonoisotopicMass | 394.031689 |
| CLogP | 4.6612 |
| CLogS | -6.156 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 271.28 |
| Relative PSA | 0.18103 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -0.72825 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide
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