N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Formula:C18H14N4O5
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C18H14N4O5 |
| Smiles | Oc([nH]c1c2cccc1)c2/N=N/C(CNC(c(cc1)cc2c1OCO2)=O)=O |
| InChI | InChI=1S/C18H14N4O5/c23-15(21-22-16-11-3-1-2-4-12(11)20-18(16)25)8-19-17(24)10-5-6-13-14(7-10)27-9-26-13/h1-7,20,25H,8-9H2,(H,19,24) |
| InChIK | YZLOGUAYBAQXRP-UHFFFAOYSA-N |
| TotalMolweight | 366.332 |
| Molweight | 366.332 |
| MonoisotopicMass | 366.096421 |
| CLogP | 2.5473 |
| CLogS | -4.981 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 267.54 |
| Relative PSA | 0.40237 |
| PolarSurfaceArea | 125.37 |
| Druglikeness | -4.2629 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
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