(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Formula:C17H12OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one is not a drug-like molecule.
| MolName | (2Z)-2-[(3,4-dichlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one |
| MolecularFormula | C17H12OCl2 |
| Smiles | O=C(/C(/CC1)=C\c(cc2)cc(Cl)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C17H12Cl2O/c18-15-8-5-11(10-16(15)19)9-13-7-6-12-3-1-2-4-14(12)17(13)20/h1-5,8-10H,6-7H2 |
| InChIK | SNTMETDIRCPREC-UHFFFAOYSA-N |
| TotalMolweight | 303.187 |
| Molweight | 303.187 |
| MonoisotopicMass | 302.026519 |
| CLogP | 5.2248 |
| CLogS | -5.755 |
| H Acceptors | 1 |
| TotalSurfaceArea | 220.34 |
| Relative PSA | 0.059181 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.16697 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(3,4-dichlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one | 2 - (2Z)-2-[(3,4-dichlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off