[(Z)-1,3-benzodioxol-5-ylmethylideneamino] 4-chlorobenzoate
Formula:C15H10NO4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-1,3-benzodioxol-5-ylmethylideneamino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(Z)-1,3-benzodioxol-5-ylmethylideneamino] 4-chlorobenzoate |
| MolecularFormula | C15H10NO4Cl |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C15H10ClNO4/c16-12-4-2-11(3-5-12)15(18)21-17-8-10-1-6-13-14(7-10)20-9-19-13/h1-8H,9H2 |
| InChIK | LIYCQMJARGTULN-UHFFFAOYSA-N |
| TotalMolweight | 303.7 |
| Molweight | 303.7 |
| MonoisotopicMass | 303.029836 |
| CLogP | 4.6355 |
| CLogS | -5.218 |
| H Acceptors | 5 |
| TotalSurfaceArea | 221.21 |
| Relative PSA | 0.2466 |
| PolarSurfaceArea | 57.12 |
| Druglikeness | -3.2828 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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