(E)-N-benzyl-3-(2-chlorophenyl)-N-(cyclobutylmethyl)prop-2-enamide
Formula:C21H22NOCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-benzyl-3-(2-chlorophenyl)-N-(cyclobutylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-3-(2-chlorophenyl)-N-(cyclobutylmethyl)prop-2-enamide |
| MolecularFormula | C21H22NOCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)N(CC1CCC1)Cc1ccccc1 |
| InChI | InChI=1S/C21H22ClNO/c22-20-12-5-4-11-19(20)13-14-21(24)23(16-18-9-6-10-18)15-17-7-2-1-3-8-17/h1-5,7-8,11-14,18H,6,9-10,15-16H2 |
| InChIK | HGSRNJGHXDLJTH-UHFFFAOYSA-N |
| TotalMolweight | 339.865 |
| Molweight | 339.865 |
| MonoisotopicMass | 339.138991 |
| CLogP | 4.7846 |
| CLogS | -4.774 |
| H Acceptors | 2 |
| TotalSurfaceArea | 270.79 |
| Relative PSA | 0.061265 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 1.9271 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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