(5E)-2-[(4-chloroanilino)methyl]-5-[(4-chlorophenyl)methylidene]cyclopentan-1-one
Formula:C19H17NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-2-[(4-chloroanilino)methyl]-5-[(4-chlorophenyl)methylidene]cyclopentan-1-one is a drug-like molecule.
| MolName | (5E)-2-[(4-chloroanilino)methyl]-5-[(4-chlorophenyl)methylidene]cyclopentan-1-one |
| MolecularFormula | C19H17NOCl2 |
| Smiles | O=C(C(CNc(cc1)ccc1Cl)CC1)/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H17Cl2NO/c20-16-5-1-13(2-6-16)11-14-3-4-15(19(14)23)12-22-18-9-7-17(21)8-10-18/h1-2,5-11,15,22H,3-4,12H2/t15-/m1/s1 |
| InChIK | JOAUFDHOAGJLJG-OAHLLOKOSA-N |
| TotalMolweight | 346.256 |
| Molweight | 346.256 |
| MonoisotopicMass | 345.068718 |
| CLogP | 4.9658 |
| CLogS | -5.55 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 258.06 |
| Relative PSA | 0.094939 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 1.416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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1 - (5E)-2-[(4-chloroanilino)methyl]-5-[(4-chlorophenyl)methylidene]cyclopentan-1-one | 2 - (5E)-2-[(4-chloroanilino)methyl]-5-[(4-chlorophenyl)methylidene]cyclopentan-1-one
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