(Z)-3-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)prop-2-enoic acid
Formula:C17H13NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)prop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-3-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)prop-2-enoic acid |
| MolecularFormula | C17H13NO4 |
| Smiles | OC(/C(/c1c[nH]c2c1cccc2)=C\c(cc1)cc(O)c1O)=O |
| InChI | InChI=1S/C17H13NO4/c19-15-6-5-10(8-16(15)20)7-12(17(21)22)13-9-18-14-4-2-1-3-11(13)14/h1-9,18-20H,(H,21,22) |
| InChIK | XXVDKZNHDQEEAN-UHFFFAOYSA-N |
| TotalMolweight | 295.293 |
| Molweight | 295.293 |
| MonoisotopicMass | 295.084459 |
| CLogP | 2.1587 |
| CLogS | -2.889 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 218.7 |
| Relative PSA | 0.30329 |
| PolarSurfaceArea | 93.55 |
| Druglikeness | 1.2562 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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