N-[(Z)-(2-chlorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C15H11N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C15H11N2O3Cl |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C15H11ClN2O3/c16-12-4-2-1-3-11(12)8-17-18-15(19)10-5-6-13-14(7-10)21-9-20-13/h1-8H,9H2,(H,18,19) |
| InChIK | JIPKXCPNGJKNEC-UHFFFAOYSA-N |
| TotalMolweight | 302.716 |
| Molweight | 302.716 |
| MonoisotopicMass | 302.04582 |
| CLogP | 3.919 |
| CLogS | -5.168 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 222.67 |
| Relative PSA | 0.25154 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.2605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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