(E)-3-(furan-2-yl)-N,N-bis(pyridin-3-ylmethyl)prop-2-en-1-amine
Formula:C19H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-N,N-bis(pyridin-3-ylmethyl)prop-2-en-1-amine is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N,N-bis(pyridin-3-ylmethyl)prop-2-en-1-amine |
| MolecularFormula | C19H19N3O |
| Smiles | C(/C=C/c1ccco1)N(Cc1cnccc1)Cc1cnccc1 |
| InChI | InChI=1S/C19H19N3O/c1-5-17(13-20-9-1)15-22(16-18-6-2-10-21-14-18)11-3-7-19-8-4-12-23-19/h1-10,12-14H,11,15-16H2 |
| InChIK | KTDMTMUJNRLXMR-UHFFFAOYSA-N |
| TotalMolweight | 305.38 |
| Molweight | 305.38 |
| MonoisotopicMass | 305.152812 |
| CLogP | 2.0668 |
| CLogS | -2.385 |
| H Acceptors | 4 |
| TotalSurfaceArea | 258.07 |
| Relative PSA | 0.15345 |
| PolarSurfaceArea | 42.16 |
| Druglikeness | 1.7145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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