(E)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonyl)prop-2-enenitrile
Formula:C14H10NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonyl)prop-2-enenitrile |
| MolecularFormula | C14H10NO3ClS |
| Smiles | N#C/C(/S(Cc1ccco1)(=O)=O)=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H10ClNO3S/c15-12-5-3-11(4-6-12)8-14(9-16)20(17,18)10-13-2-1-7-19-13/h1-8H,10H2 |
| InChIK | UYFZRUKYGDOXRK-UHFFFAOYSA-N |
| TotalMolweight | 307.756 |
| Molweight | 307.756 |
| MonoisotopicMass | 307.006991 |
| CLogP | 2.1835 |
| CLogS | -4.779 |
| H Acceptors | 4 |
| TotalSurfaceArea | 226.89 |
| Relative PSA | 0.24792 |
| PolarSurfaceArea | 79.45 |
| Druglikeness | -6.3641 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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