(E)-3-[2-[(2-cyanophenyl)methoxy]phenyl]prop-2-enoic acid
Formula:C17H13NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-[(2-cyanophenyl)methoxy]phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[2-[(2-cyanophenyl)methoxy]phenyl]prop-2-enoic acid |
| MolecularFormula | C17H13NO3 |
| Smiles | N#Cc1c(COc2c(/C=C/C(O)=O)cccc2)cccc1 |
| InChI | InChI=1S/C17H13NO3/c18-11-14-6-1-2-7-15(14)12-21-16-8-4-3-5-13(16)9-10-17(19)20/h1-10H,12H2,(H,19,20) |
| InChIK | DQQFEUIYZRGSQE-UHFFFAOYSA-N |
| TotalMolweight | 279.294 |
| Molweight | 279.294 |
| MonoisotopicMass | 279.089544 |
| CLogP | 2.6576 |
| CLogS | -4.113 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.09 |
| Relative PSA | 0.21695 |
| PolarSurfaceArea | 70.32 |
| Druglikeness | -4.1124 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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