(E)-N-(2-chlorophenyl)-2-cyano-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]prop-2-enamide
Formula:C20H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-chlorophenyl)-2-cyano-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-chlorophenyl)-2-cyano-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]prop-2-enamide |
| MolecularFormula | C20H14N3O2Cl |
| Smiles | N#C/C(/C(Nc(cccc1)c1Cl)=O)=C\c1cccn1-c(cc1)ccc1O |
| InChI | InChI=1S/C20H14ClN3O2/c21-18-5-1-2-6-19(18)23-20(26)14(13-22)12-16-4-3-11-24(16)15-7-9-17(25)10-8-15/h1-12,25H,(H,23,26) |
| InChIK | MMKSBBSIBZGZHX-UHFFFAOYSA-N |
| TotalMolweight | 363.803 |
| Molweight | 363.803 |
| MonoisotopicMass | 363.077454 |
| CLogP | 3.4875 |
| CLogS | -6.547 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.38 |
| Relative PSA | 0.20771 |
| PolarSurfaceArea | 78.05 |
| Druglikeness | -0.74779 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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