(E)-N-benzyl-3-(2-chlorophenyl)-N-(cyclopropylmethyl)prop-2-enamide
Formula:C20H20NOCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-benzyl-3-(2-chlorophenyl)-N-(cyclopropylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-3-(2-chlorophenyl)-N-(cyclopropylmethyl)prop-2-enamide |
| MolecularFormula | C20H20NOCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)N(CC1CC1)Cc1ccccc1 |
| InChI | InChI=1S/C20H20ClNO/c21-19-9-5-4-8-18(19)12-13-20(23)22(15-17-10-11-17)14-16-6-2-1-3-7-16/h1-9,12-13,17H,10-11,14-15H2 |
| InChIK | LYNITCDHXTXRJM-UHFFFAOYSA-N |
| TotalMolweight | 325.838 |
| Molweight | 325.838 |
| MonoisotopicMass | 325.123341 |
| CLogP | 4.4426 |
| CLogS | -4.504 |
| H Acceptors | 2 |
| TotalSurfaceArea | 257.03 |
| Relative PSA | 0.064545 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 3.6928 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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