(E)-N-[2-(2,4-dichlorophenyl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
Formula:C26H25NCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(2,4-dichlorophenyl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine is not a drug-like molecule.
| MolName | (E)-N-[2-(2,4-dichlorophenyl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine |
| MolecularFormula | C26H25NCl2 |
| Smiles | Clc1cc(Cl)c(CCN(C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1 |
| InChI | InChI=1S/C26H25Cl2N/c27-25-16-15-24(26(28)21-25)17-20-29(18-7-13-22-9-3-1-4-10-22)19-8-14-23-11-5-2-6-12-23/h1-16,21H,17-20H2 |
| InChIK | KQHGKDULKFFGCW-UHFFFAOYSA-N |
| TotalMolweight | 422.398 |
| Molweight | 422.398 |
| MonoisotopicMass | 421.136403 |
| CLogP | 7.2832 |
| CLogS | -6.394 |
| H Acceptors | 1 |
| TotalSurfaceArea | 341.96 |
| Relative PSA | 0.010381 |
| PolarSurfaceArea | 3.24 |
| Druglikeness | 2.275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 11 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-N-[2-(2,4-dichlorophenyl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine | 2 - (E)-N-[2-(2,4-dichlorophenyl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
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