2-[3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetate
Formula:C19H13N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetate is a drug-like molecule.
| MolName | 2-[3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetate |
| MolecularFormula | C19H13N2O3 |
| Smiles | [O-]C(Cn1c(cccc2)c2c(/C=C(\c(cccc2)c2N2)/C2=O)c1)=O |
| InChI | InChI=1S/C19H14N2O3/c22-18(23)11-21-10-12(13-5-2-4-8-17(13)21)9-15-14-6-1-3-7-16(14)20-19(15)24/h1-10H,11H2,(H,20,24)(H,22,23)/p-1 |
| InChIK | HXLYVWDEHNLSIK-UHFFFAOYSA-M |
| TotalMolweight | 317.323 |
| Molweight | 317.323 |
| MonoisotopicMass | 317.092618 |
| CLogP | -0.6584 |
| CLogS | -3.037 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.28 |
| Relative PSA | 0.24839 |
| PolarSurfaceArea | 74.16 |
| Druglikeness | -5.7885 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetate | 2 - 2-[3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetate
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