(5E)-2-[(4-chloroanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one
Formula:C19H18NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E)-2-[(4-chloroanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one is a drug-like molecule.
| MolName | (5E)-2-[(4-chloroanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one |
| MolecularFormula | C19H18NO2Cl |
| Smiles | Oc1ccc(/C=C(\CCC2CNc(cc3)ccc3Cl)/C2=O)cc1 |
| InChI | InChI=1S/C19H18ClNO2/c20-16-5-7-17(8-6-16)21-12-15-4-3-14(19(15)23)11-13-1-9-18(22)10-2-13/h1-2,5-11,15,21-22H,3-4,12H2/t15-/m1/s1 |
| InChIK | KRNGWPMSMWJZKZ-OAHLLOKOSA-N |
| TotalMolweight | 327.81 |
| Molweight | 327.81 |
| MonoisotopicMass | 327.102606 |
| CLogP | 4.0141 |
| CLogS | -4.518 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 248.99 |
| Relative PSA | 0.15101 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | 1.4265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| 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 | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5E)-2-[(4-chloroanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one | 2 - (5E)-2-[(4-chloroanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off