N-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C21H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C21H16N2O3 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H16N2O3/c24-21(18-10-11-19-20(12-18)26-14-25-19)23-22-13-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,24) |
| InChIK | AZAWMXBTXZCIFF-UHFFFAOYSA-N |
| TotalMolweight | 344.369 |
| Molweight | 344.369 |
| MonoisotopicMass | 344.116093 |
| CLogP | 4.9722 |
| CLogS | -6.518 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.01 |
| Relative PSA | 0.20977 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.2378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
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