(Z)-3-(4-hydroxyphenyl)-2-naphthalen-1-ylprop-2-enoic acid
Formula:C19H14O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-3-(4-hydroxyphenyl)-2-naphthalen-1-ylprop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-3-(4-hydroxyphenyl)-2-naphthalen-1-ylprop-2-enoic acid |
| MolecularFormula | C19H14O3 |
| Smiles | OC(/C(/c1cccc2ccccc12)=C\c(cc1)ccc1O)=O |
| InChI | InChI=1S/C19H14O3/c20-15-10-8-13(9-11-15)12-18(19(21)22)17-7-3-5-14-4-1-2-6-16(14)17/h1-12,20H,(H,21,22) |
| InChIK | WCWSHQWULMKEEQ-UHFFFAOYSA-N |
| TotalMolweight | 290.317 |
| Molweight | 290.317 |
| MonoisotopicMass | 290.094295 |
| CLogP | 3.6594 |
| CLogS | -4.266 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 222.78 |
| Relative PSA | 0.17614 |
| PolarSurfaceArea | 57.53 |
| Druglikeness | 0.28423 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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