2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]acetic acid
Formula:C11H9NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]acetic acid is a drug-like molecule.
| MolName | 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]acetic acid |
| MolecularFormula | C11H9NO3Cl2 |
| Smiles | OC(CNC(/C=C/c(c(Cl)ccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C11H9Cl2NO3/c12-8-2-1-3-9(13)7(8)4-5-10(15)14-6-11(16)17/h1-5H,6H2,(H,14,15)(H,16,17) |
| InChIK | PIJCLRWELWGNPO-UHFFFAOYSA-N |
| TotalMolweight | 274.102 |
| Molweight | 274.102 |
| MonoisotopicMass | 272.995948 |
| CLogP | 1.7696 |
| CLogS | -3.238 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 197.67 |
| Relative PSA | 0.25618 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -4.6274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]acetic acid | 2 - 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]acetic acid
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