(Z)-3-cyano-3-phenylprop-2-enoic acid
Formula:C10H7NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-cyano-3-phenylprop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-3-cyano-3-phenylprop-2-enoic acid |
| MolecularFormula | C10H7NO2 |
| Smiles | N#C/C(/c1ccccc1)=C\C(O)=O |
| InChI | InChI=1S/C10H7NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-6H,(H,12,13) |
| InChIK | ICKZIDPIMZGODJ-UHFFFAOYSA-N |
| TotalMolweight | 173.171 |
| Molweight | 173.171 |
| MonoisotopicMass | 173.047679 |
| CLogP | 0.9399 |
| CLogS | -1.876 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 143.78 |
| Relative PSA | 0.27612 |
| PolarSurfaceArea | 61.09 |
| Druglikeness | -4.1999 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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