[(Z)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] 2,4-dichlorobenzoate
Formula:C16H12N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] 2,4-dichlorobenzoate is a drug-like molecule.
| MolName | [(Z)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] 2,4-dichlorobenzoate |
| MolecularFormula | C16H12N2O4Cl2 |
| Smiles | N/C(/C1Oc(cccc2)c2OC1)=N\OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C16H12Cl2N2O4/c17-9-5-6-10(11(18)7-9)16(21)24-20-15(19)14-8-22-12-3-1-2-4-13(12)23-14/h1-7,14H,8H2,(H2,19,20)/t14-/m0/s1 |
| InChIK | CQGRWXHGAHWOFI-AWEZNQCLSA-N |
| TotalMolweight | 367.187 |
| Molweight | 367.187 |
| MonoisotopicMass | 366.017412 |
| CLogP | 3.8262 |
| CLogS | -5.03 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 255.86 |
| Relative PSA | 0.27288 |
| PolarSurfaceArea | 83.14 |
| Druglikeness | -2.345 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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1 - [(Z)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] 2,4-dichlorobenzoate | 2 - [(Z)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] 2,4-dichlorobenzoate
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