(Z)-2-(4-bromophenyl)-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]prop-2-enenitrile
Formula:C19H13N2OBr
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(Z)-2-(4-bromophenyl)-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(4-bromophenyl)-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]prop-2-enenitrile |
| MolecularFormula | C19H13N2OBr |
| Smiles | N#C/C(/c(cc1)ccc1Br)=C\c1cccn1-c(cc1)ccc1O |
| InChI | InChI=1S/C19H13BrN2O/c20-16-5-3-14(4-6-16)15(13-21)12-18-2-1-11-22(18)17-7-9-19(23)10-8-17/h1-12,23H |
| InChIK | BTXWHECRMCDMCC-UHFFFAOYSA-N |
| TotalMolweight | 365.229 |
| Molweight | 365.229 |
| MonoisotopicMass | 364.021124 |
| CLogP | 3.951 |
| CLogS | -6.504 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 253.38 |
| Relative PSA | 0.13233 |
| PolarSurfaceArea | 48.95 |
| Druglikeness | -4.8711 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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