[(Z)-2,3-dihydro-1-benzofuran-5-ylmethylideneamino] 4-chlorobenzoate
Formula:C16H12NO3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-2,3-dihydro-1-benzofuran-5-ylmethylideneamino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(Z)-2,3-dihydro-1-benzofuran-5-ylmethylideneamino] 4-chlorobenzoate |
| MolecularFormula | C16H12NO3Cl |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C\c(cc1)cc2c1OCC2 |
| InChI | InChI=1S/C16H12ClNO3/c17-14-4-2-12(3-5-14)16(19)21-18-10-11-1-6-15-13(9-11)7-8-20-15/h1-6,9-10H,7-8H2 |
| InChIK | HTUMPRHJOVVTOI-UHFFFAOYSA-N |
| TotalMolweight | 301.728 |
| Molweight | 301.728 |
| MonoisotopicMass | 301.050571 |
| CLogP | 4.7499 |
| CLogS | -4.874 |
| H Acceptors | 4 |
| TotalSurfaceArea | 224.97 |
| Relative PSA | 0.19803 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -3.6669 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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