N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3,4-dihydroxyphenyl)propanamide
Formula:C17H16N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3,4-dihydroxyphenyl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3,4-dihydroxyphenyl)propanamide |
| MolecularFormula | C17H16N2O5 |
| Smiles | Oc(ccc(CCC(N/N=C\c(cc1)cc2c1OCO2)=O)c1)c1O |
| InChI | InChI=1S/C17H16N2O5/c20-13-4-1-11(7-14(13)21)3-6-17(22)19-18-9-12-2-5-15-16(8-12)24-10-23-15/h1-2,4-5,7-9,20-21H,3,6,10H2,(H,19,22) |
| InChIK | XZSAOYKGXIXKNQ-UHFFFAOYSA-N |
| TotalMolweight | 328.323 |
| Molweight | 328.323 |
| MonoisotopicMass | 328.105923 |
| CLogP | 3.0741 |
| CLogS | -4.075 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 247.47 |
| Relative PSA | 0.3322 |
| PolarSurfaceArea | 100.38 |
| Druglikeness | 3.0479 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| StereoCon |
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