(Z)-3-(1,3-benzodioxol-5-ylamino)-1-phenylprop-2-en-1-one
Formula:C16H13NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(1,3-benzodioxol-5-ylamino)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(1,3-benzodioxol-5-ylamino)-1-phenylprop-2-en-1-one |
| MolecularFormula | C16H13NO3 |
| Smiles | O=C(/C=C\Nc(cc1)cc2c1OCO2)c1ccccc1 |
| InChI | InChI=1S/C16H13NO3/c18-14(12-4-2-1-3-5-12)8-9-17-13-6-7-15-16(10-13)20-11-19-15/h1-10,17H,11H2 |
| InChIK | YLKCNYLVHRMNQW-UHFFFAOYSA-N |
| TotalMolweight | 267.283 |
| Molweight | 267.283 |
| MonoisotopicMass | 267.089544 |
| CLogP | 2.5859 |
| CLogS | -4.497 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 208.99 |
| Relative PSA | 0.21293 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | 0.50521 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-(1,3-benzodioxol-5-ylamino)-1-phenylprop-2-en-1-one | 2 - (Z)-3-(1,3-benzodioxol-5-ylamino)-1-phenylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off