N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-cyclopentyloxamide
Formula:C18H18N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-cyclopentyloxamide is a drug-like molecule.
| MolName | N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-cyclopentyloxamide |
| MolecularFormula | C18H18N3O3Cl |
| Smiles | O=C(C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)=O)NC1CCCC1 |
| InChI | InChI=1S/C18H18ClN3O3/c19-13-5-3-4-12(10-13)16-9-8-15(25-16)11-20-22-18(24)17(23)21-14-6-1-2-7-14/h3-5,8-11,14H,1-2,6-7H2,(H,21,23)(H,22,24) |
| InChIK | MYKYIXIHBHYZLQ-UHFFFAOYSA-N |
| TotalMolweight | 359.812 |
| Molweight | 359.812 |
| MonoisotopicMass | 359.103669 |
| CLogP | 3.1938 |
| CLogS | -5.518 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 275.35 |
| Relative PSA | 0.271 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 3.688 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-cyclopentyloxamide | 2 - N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-cyclopentyloxamide
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