3-(1,3-benzodioxol-5-ylamino)-1-naphthalen-2-ylprop-2-en-1-one
Formula:C20H15NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(1,3-benzodioxol-5-ylamino)-1-naphthalen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | 3-(1,3-benzodioxol-5-ylamino)-1-naphthalen-2-ylprop-2-en-1-one |
| MolecularFormula | C20H15NO3 |
| Smiles | O=C(C=CNc(cc1)cc2c1OCO2)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C20H15NO3/c22-18(16-6-5-14-3-1-2-4-15(14)11-16)9-10-21-17-7-8-19-20(12-17)24-13-23-19/h1-12,21H,13H2 |
| InChIK | MPTAZFVQEGHSHB-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 | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| 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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