2-[[(E)-2-phenylethenyl]sulfonyl-prop-2-enylamino]benzoate
Formula:C18H16NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-2-phenylethenyl]sulfonyl-prop-2-enylamino]benzoate is a drug-like molecule.
| MolName | 2-[[(E)-2-phenylethenyl]sulfonyl-prop-2-enylamino]benzoate |
| MolecularFormula | C18H16NO4S |
| Smiles | C=CCN(c(cccc1)c1C([O-])=O)S(/C=C/c1ccccc1)(=O)=O |
| InChI | InChI=1S/C18H17NO4S/c1-2-13-19(17-11-7-6-10-16(17)18(20)21)24(22,23)14-12-15-8-4-3-5-9-15/h2-12,14H,1,13H2,(H,20,21)/p-1 |
| InChIK | FVHRHJBBJASQDU-UHFFFAOYSA-M |
| TotalMolweight | 342.394 |
| Molweight | 342.394 |
| MonoisotopicMass | 342.080004 |
| CLogP | 0.4741 |
| CLogS | -5.011 |
| H Acceptors | 5 |
| TotalSurfaceArea | 261.98 |
| Relative PSA | 0.22693 |
| PolarSurfaceArea | 85.89 |
| Druglikeness | -0.84333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[(E)-2-phenylethenyl]sulfonyl-prop-2-enylamino]benzoate | 2 - 2-[[(E)-2-phenylethenyl]sulfonyl-prop-2-enylamino]benzoate
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