(Z)-3-(2-hydroxyanilino)-1-naphthalen-2-ylprop-2-en-1-one
Formula:C19H15NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(2-hydroxyanilino)-1-naphthalen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(2-hydroxyanilino)-1-naphthalen-2-ylprop-2-en-1-one |
| MolecularFormula | C19H15NO2 |
| Smiles | Oc(cccc1)c1N/C=C\C(c1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C19H15NO2/c21-18(11-12-20-17-7-3-4-8-19(17)22)16-10-9-14-5-1-2-6-15(14)13-16/h1-13,20,22H |
| InChIK | ZEKSASIGDNUASK-UHFFFAOYSA-N |
| TotalMolweight | 289.333 |
| Molweight | 289.333 |
| MonoisotopicMass | 289.110279 |
| CLogP | 3.3232 |
| CLogS | -5.096 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 229.68 |
| Relative PSA | 0.16371 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | 0.59604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-(2-hydroxyanilino)-1-naphthalen-2-ylprop-2-en-1-one | 2 - (Z)-3-(2-hydroxyanilino)-1-naphthalen-2-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off