1-(1,3-benzodioxol-5-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]methanamine
Formula:C16H14N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(1,3-benzodioxol-5-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]methanamine is a drug-like molecule.
| MolName | 1-(1,3-benzodioxol-5-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]methanamine |
| MolecularFormula | C16H14N2O4 |
| Smiles | C(c(cc1)cc2c1OCO2)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C16H14N2O4/c1-3-13-15(21-9-19-13)5-11(1)7-17-18-8-12-2-4-14-16(6-12)22-10-20-14/h1-7,18H,8-10H2 |
| InChIK | DUUMUKBZZCBXNL-UHFFFAOYSA-N |
| TotalMolweight | 298.297 |
| Molweight | 298.297 |
| MonoisotopicMass | 298.095358 |
| CLogP | 3.342 |
| CLogS | -5.014 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 223.52 |
| Relative PSA | 0.28172 |
| PolarSurfaceArea | 61.31 |
| Druglikeness | 2.535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| StereoCon |
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1 - 1-(1,3-benzodioxol-5-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]methanamine | 2 - 1-(1,3-benzodioxol-5-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]methanamine
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