(E)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(furan-3-yl)prop-2-enamide
Formula:C18H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(furan-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(furan-3-yl)prop-2-enamide |
| MolecularFormula | C18H14N4O2 |
| Smiles | N#Cc1cccc(Cn2ncc(NC(/C=C/c3cocc3)=O)c2)c1 |
| InChI | InChI=1S/C18H14N4O2/c19-9-15-2-1-3-16(8-15)11-22-12-17(10-20-22)21-18(23)5-4-14-6-7-24-13-14/h1-8,10,12-13H,11H2,(H,21,23) |
| InChIK | XLRKFEXIHLGXEM-UHFFFAOYSA-N |
| TotalMolweight | 318.335 |
| Molweight | 318.335 |
| MonoisotopicMass | 318.111676 |
| CLogP | 1.5264 |
| CLogS | -3.486 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 261.61 |
| Relative PSA | 0.26761 |
| PolarSurfaceArea | 83.85 |
| Druglikeness | -0.58428 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(furan-3-yl)prop-2-enamide | 2 - (E)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(furan-3-yl)prop-2-enamide
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