(E)-3-(4-cyanophenyl)prop-2-enoate
Formula:C10H6NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-cyanophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(4-cyanophenyl)prop-2-enoate |
| MolecularFormula | C10H6NO2 |
| Smiles | N#Cc1ccc(/C=C/C([O-])=O)cc1 |
| InChI | InChI=1S/C10H7NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-6H,(H,12,13)/p-1 |
| InChIK | USVZQKYCNGNRBV-UHFFFAOYSA-M |
| TotalMolweight | 172.163 |
| Molweight | 172.163 |
| MonoisotopicMass | 172.039854 |
| CLogP | -0.7665 |
| CLogS | -2.772 |
| H Acceptors | 3 |
| TotalSurfaceArea | 146.75 |
| Relative PSA | 0.27857 |
| PolarSurfaceArea | 63.92 |
| Druglikeness | -4.7264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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