4-[[2-[(Z)-2-cyano-2-phenylethenyl]phenoxy]methyl]benzoate
Formula:C23H16NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[[2-[(Z)-2-cyano-2-phenylethenyl]phenoxy]methyl]benzoate is a drug-like molecule.
| MolName | 4-[[2-[(Z)-2-cyano-2-phenylethenyl]phenoxy]methyl]benzoate |
| MolecularFormula | C23H16NO3 |
| Smiles | N#C/C(/c1ccccc1)=C\c(cccc1)c1OCc(cc1)ccc1C([O-])=O |
| InChI | InChI=1S/C23H17NO3/c24-15-21(18-6-2-1-3-7-18)14-20-8-4-5-9-22(20)27-16-17-10-12-19(13-11-17)23(25)26/h1-14H,16H2,(H,25,26)/p-1 |
| InChIK | CRWZLYOECPDECL-UHFFFAOYSA-M |
| TotalMolweight | 354.384 |
| Molweight | 354.384 |
| MonoisotopicMass | 354.113019 |
| CLogP | 2.0898 |
| CLogS | -4.983 |
| H Acceptors | 4 |
| TotalSurfaceArea | 288.24 |
| Relative PSA | 0.17652 |
| PolarSurfaceArea | 73.15 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[[2-[(Z)-2-cyano-2-phenylethenyl]phenoxy]methyl]benzoate | 2 - 4-[[2-[(Z)-2-cyano-2-phenylethenyl]phenoxy]methyl]benzoate
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