(Z)-3-(1,3-benzodioxol-5-ylamino)-1-naphthalen-1-ylprop-2-en-1-one
Formula:C20H15NO3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-3-(1,3-benzodioxol-5-ylamino)-1-naphthalen-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(1,3-benzodioxol-5-ylamino)-1-naphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C20H15NO3 |
| Smiles | O=C(/C=C\Nc(cc1)cc2c1OCO2)c1cccc2ccccc12 |
| InChI | InChI=1S/C20H15NO3/c22-18(17-7-3-5-14-4-1-2-6-16(14)17)10-11-21-15-8-9-19-20(12-15)24-13-23-19/h1-12,21H,13H2 |
| InChIK | CQAAVSXOVIMZQR-UHFFFAOYSA-N |
| TotalMolweight | 317.343 |
| Molweight | 317.343 |
| MonoisotopicMass | 317.105194 |
| CLogP | 3.7803 |
| CLogS | -6.103 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.59 |
| Relative PSA | 0.18268 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | 0.50521 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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