(E)-3-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C17H11NO3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C17H11NO3ClF3 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)Nc(cc1)cc(C(F)(F)F)c1Cl |
| InChI | InChI=1S/C17H11ClF3NO3/c18-13-4-3-11(8-12(13)17(19,20)21)22-16(23)6-2-10-1-5-14-15(7-10)25-9-24-14/h1-8H,9H2,(H,22,23) |
| InChIK | SVDROPCTPVFHNO-UHFFFAOYSA-N |
| TotalMolweight | 369.725 |
| Molweight | 369.725 |
| MonoisotopicMass | 369.037955 |
| CLogP | 4.702 |
| CLogS | -5.723 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.87 |
| Relative PSA | 0.17529 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -7.5814 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
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