(Z)-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]-2-phenylprop-2-enenitrile
Formula:C19H14N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]-2-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]-2-phenylprop-2-enenitrile |
| MolecularFormula | C19H14N2O |
| Smiles | N#C/C(/c1ccccc1)=C\c1cccn1-c(cc1)ccc1O |
| InChI | InChI=1S/C19H14N2O/c20-14-16(15-5-2-1-3-6-15)13-18-7-4-12-21(18)17-8-10-19(22)11-9-17/h1-13,22H |
| InChIK | WDSBQVKHLMPLTH-UHFFFAOYSA-N |
| TotalMolweight | 286.333 |
| Molweight | 286.333 |
| MonoisotopicMass | 286.110613 |
| CLogP | 3.2258 |
| CLogS | -5.67 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 234.75 |
| Relative PSA | 0.14283 |
| PolarSurfaceArea | 48.95 |
| Druglikeness | -3.0811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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