N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ium-1-ylacetamide
Formula:C17H19N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ium-1-ylacetamide |
| MolecularFormula | C17H19N3O2Cl |
| Smiles | O=C(C[NH+]1CCCC1)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 |
| InChI | InChI=1S/C17H18ClN3O2/c18-14-5-3-4-13(10-14)16-7-6-15(23-16)11-19-20-17(22)12-21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,22)/p+1 |
| InChIK | DTCXHUIELAHBNI-UHFFFAOYSA-O |
| TotalMolweight | 332.81 |
| Molweight | 332.81 |
| MonoisotopicMass | 332.116579 |
| CLogP | 1.2775 |
| CLogS | -4.556 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 271.74 |
| Relative PSA | 0.24917 |
| PolarSurfaceArea | 59.04 |
| Druglikeness | 5.3204 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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