(1Z,4E)-1-(cyclohexylamino)-1-cyclopropyl-5-phenylpenta-1,4-dien-3-one
Formula:C20H25NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z,4E)-1-(cyclohexylamino)-1-cyclopropyl-5-phenylpenta-1,4-dien-3-one is a drug-like molecule.
| MolName | (1Z,4E)-1-(cyclohexylamino)-1-cyclopropyl-5-phenylpenta-1,4-dien-3-one |
| MolecularFormula | C20H25NO |
| Smiles | O=C(/C=C/c1ccccc1)/C=C(/C1CC1)\NC1CCCCC1 |
| InChI | InChI=1S/C20H25NO/c22-19(14-11-16-7-3-1-4-8-16)15-20(17-12-13-17)21-18-9-5-2-6-10-18/h1,3-4,7-8,11,14-15,17-18,21H,2,5-6,9-10,12-13H2 |
| InChIK | ASJYKFFEXOLOGC-UHFFFAOYSA-N |
| TotalMolweight | 295.425 |
| Molweight | 295.425 |
| MonoisotopicMass | 295.193614 |
| CLogP | 4.469 |
| CLogS | -4.771 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 248 |
| Relative PSA | 0.09879 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -2.4917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| StereoCon |
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