N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-chloroaniline
Formula:C14H11N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-chloroaniline is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-chloroaniline |
| MolecularFormula | C14H11N2O2Cl |
| Smiles | Clc(cccc1)c1N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C14H11ClN2O2/c15-11-3-1-2-4-12(11)17-16-8-10-5-6-13-14(7-10)19-9-18-13/h1-8,17H,9H2 |
| InChIK | URWJOLJIEQWFAG-UHFFFAOYSA-N |
| TotalMolweight | 274.706 |
| Molweight | 274.706 |
| MonoisotopicMass | 274.050905 |
| CLogP | 5.5583 |
| CLogS | -4.596 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 204.92 |
| Relative PSA | 0.20969 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | 1.9387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-chloroaniline | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-chloroaniline
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