[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate
Formula:C13H11N2O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate |
| MolecularFormula | C13H11N2O3Cl |
| Smiles | N/C(/Cc(cc1)ccc1Cl)=N/OC(c1ccco1)=O |
| InChI | InChI=1S/C13H11ClN2O3/c14-10-5-3-9(4-6-10)8-12(15)16-19-13(17)11-2-1-7-18-11/h1-7H,8H2,(H2,15,16) |
| InChIK | AJHLYJXXDAJXRP-UHFFFAOYSA-N |
| TotalMolweight | 278.694 |
| Molweight | 278.694 |
| MonoisotopicMass | 278.04582 |
| CLogP | 2.8649 |
| CLogS | -3.919 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 211.13 |
| Relative PSA | 0.3028 |
| PolarSurfaceArea | 77.82 |
| Druglikeness | -1.945 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate | 2 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate
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