[(E)-[1-amino-2-(2,1,3-benzoxadiazol-5-yloxy)ethylidene]amino] 4-chlorobenzoate
Formula:C15H11N4O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-amino-2-(2,1,3-benzoxadiazol-5-yloxy)ethylidene]amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(2,1,3-benzoxadiazol-5-yloxy)ethylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C15H11N4O4Cl |
| Smiles | N/C(/COc1cc2nonc2cc1)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C15H11ClN4O4/c16-10-3-1-9(2-4-10)15(21)23-20-14(17)8-22-11-5-6-12-13(7-11)19-24-18-12/h1-7H,8H2,(H2,17,20) |
| InChIK | MXNUBULPLCVOOC-UHFFFAOYSA-N |
| TotalMolweight | 346.729 |
| Molweight | 346.729 |
| MonoisotopicMass | 346.046883 |
| CLogP | 3.2037 |
| CLogS | -3.691 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 253.25 |
| Relative PSA | 0.37856 |
| PolarSurfaceArea | 112.83 |
| Druglikeness | -1.6674 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[1-amino-2-(2,1,3-benzoxadiazol-5-yloxy)ethylidene]amino] 4-chlorobenzoate | 2 - [(E)-[1-amino-2-(2,1,3-benzoxadiazol-5-yloxy)ethylidene]amino] 4-chlorobenzoate
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