(E)-3-[2-(2-cyanophenoxy)phenyl]prop-2-enoic acid
Formula:C16H11NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(2-cyanophenoxy)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[2-(2-cyanophenoxy)phenyl]prop-2-enoic acid |
| MolecularFormula | C16H11NO3 |
| Smiles | N#Cc(cccc1)c1Oc1c(/C=C/C(O)=O)cccc1 |
| InChI | InChI=1S/C16H11NO3/c17-11-13-6-2-4-8-15(13)20-14-7-3-1-5-12(14)9-10-16(18)19/h1-10H,(H,18,19) |
| InChIK | XLZKQYPVLCUOAO-UHFFFAOYSA-N |
| TotalMolweight | 265.267 |
| Molweight | 265.267 |
| MonoisotopicMass | 265.073894 |
| CLogP | 2.7051 |
| CLogS | -5.069 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.33 |
| Relative PSA | 0.23081 |
| PolarSurfaceArea | 70.32 |
| Druglikeness | -3.9338 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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