4-[(E)-2-phenylethenyl]hepta-1,6-dien-4-ylazanium
Formula:C15H20N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-phenylethenyl]hepta-1,6-dien-4-ylazanium is a drug-like molecule.
| MolName | 4-[(E)-2-phenylethenyl]hepta-1,6-dien-4-ylazanium |
| MolecularFormula | C15H20N |
| Smiles | C=CCC(CC=C)(/C=C/c1ccccc1)[NH3+] |
| InChI | InChI=1S/C15H19N/c1-3-11-15(16,12-4-2)13-10-14-8-6-5-7-9-14/h3-10,13H,1-2,11-12,16H2/p+1 |
| InChIK | QXRUTNGQQYOBKD-UHFFFAOYSA-O |
| TotalMolweight | 214.331 |
| Molweight | 214.331 |
| MonoisotopicMass | 214.159574 |
| CLogP | 0.4414 |
| CLogS | -3.538 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 194.5 |
| Relative PSA | 0.074447 |
| PolarSurfaceArea | 27.64 |
| Druglikeness | -5.2108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[(E)-2-phenylethenyl]hepta-1,6-dien-4-ylazanium | 2 - 4-[(E)-2-phenylethenyl]hepta-1,6-dien-4-ylazanium
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