(E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate
Formula:C16H12O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate |
| MolecularFormula | C16H12O3Cl |
| Smiles | [O-]C(/C=C/c(cccc1)c1OCc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C16H13ClO3/c17-14-8-5-12(6-9-14)11-20-15-4-2-1-3-13(15)7-10-16(18)19/h1-10H,11H2,(H,18,19)/p-1 |
| InChIK | QCWWSUVIYPJUBD-UHFFFAOYSA-M |
| TotalMolweight | 287.721 |
| Molweight | 287.721 |
| MonoisotopicMass | 287.047497 |
| CLogP | 1.352 |
| CLogS | -4.076 |
| H Acceptors | 3 |
| TotalSurfaceArea | 223.98 |
| Relative PSA | 0.16662 |
| PolarSurfaceArea | 49.36 |
| Druglikeness | -0.68204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate | 2 - (E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate
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