(E)-3-(4-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
Formula:C19H13O2Cl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one |
| MolecularFormula | C19H13O2Cl |
| Smiles | Oc(c1ccccc1cc1)c1C(/C=C/c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H13ClO2/c20-15-9-5-13(6-10-15)7-12-18(21)17-11-8-14-3-1-2-4-16(14)19(17)22/h1-12,22H |
| InChIK | FSDAZTFQWAZVCC-UHFFFAOYSA-N |
| TotalMolweight | 308.763 |
| Molweight | 308.763 |
| MonoisotopicMass | 308.060407 |
| CLogP | 4.7585 |
| CLogS | -5.886 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 233.64 |
| Relative PSA | 0.11188 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.22165 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one | 2 - (E)-3-(4-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off