(E)-N-[(cyclopropanecarbonylamino)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Formula:C14H14N3O2FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(cyclopropanecarbonylamino)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(cyclopropanecarbonylamino)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C14H14N3O2FS |
| Smiles | O=C(C1CC1)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S |
| InChI | InChI=1S/C14H14FN3O2S/c15-11-6-1-9(2-7-11)3-8-12(19)16-14(21)18-17-13(20)10-4-5-10/h1-3,6-8,10H,4-5H2,(H,17,20)(H2,16,18,19,21) |
| InChIK | FBOXACACWQBJOT-UHFFFAOYSA-N |
| TotalMolweight | 307.348 |
| Molweight | 307.348 |
| MonoisotopicMass | 307.079075 |
| CLogP | 1.1043 |
| CLogS | -3.885 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 235.22 |
| Relative PSA | 0.37607 |
| PolarSurfaceArea | 102.32 |
| Druglikeness | 1.2783 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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