2-[[(E)-3-carboxylatoprop-2-enoyl]amino]-4-chlorobenzoate
Formula:C11H6NO5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-3-carboxylatoprop-2-enoyl]amino]-4-chlorobenzoate is a drug-like molecule.
| MolName | 2-[[(E)-3-carboxylatoprop-2-enoyl]amino]-4-chlorobenzoate |
| MolecularFormula | C11H6NO5Cl |
| Smiles | [O-]C(/C=C/C(Nc(cc(cc1)Cl)c1C([O-])=O)=O)=O |
| InChI | InChI=1S/C11H8ClNO5/c12-6-1-2-7(11(17)18)8(5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)(H,17,18)/p-2 |
| InChIK | SVCBPWVZVPMJGG-UHFFFAOYSA-L |
| TotalMolweight | 267.624 |
| Molweight | 267.624 |
| MonoisotopicMass | 266.993451 |
| CLogP | -3.3173 |
| CLogS | -2.494 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 194.95 |
| Relative PSA | 0.40595 |
| PolarSurfaceArea | 109.36 |
| Druglikeness | -0.058469 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[[(E)-3-carboxylatoprop-2-enoyl]amino]-4-chlorobenzoate | 2 - 2-[[(E)-3-carboxylatoprop-2-enoyl]amino]-4-chlorobenzoate
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