N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide
Formula:C21H16N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C21H16N2O4 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\C=C\c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C21H16N2O4/c24-18-12-16-6-2-1-5-15(16)11-17(18)21(25)23-22-9-3-4-14-7-8-19-20(10-14)27-13-26-19/h1-12,24H,13H2,(H,23,25) |
| InChIK | XARVVTDTAGNSDX-UHFFFAOYSA-N |
| TotalMolweight | 360.368 |
| Molweight | 360.368 |
| MonoisotopicMass | 360.111008 |
| CLogP | 4.18 |
| CLogS | -6.034 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 274.7 |
| Relative PSA | 0.25158 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 4.2618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide
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