N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-cyanoacetamide
Formula:C18H13N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-cyanoacetamide |
| MolecularFormula | C18H13N4O2Br |
| Smiles | N#CCC(N/N=C\c(cc1)cc(Br)c1OCc(cccc1)c1C#N)=O |
| InChI | InChI=1S/C18H13BrN4O2/c19-16-9-13(11-22-23-18(24)7-8-20)5-6-17(16)25-12-15-4-2-1-3-14(15)10-21/h1-6,9,11H,7,12H2,(H,23,24) |
| InChIK | OCRVCPWGFMYYLA-UHFFFAOYSA-N |
| TotalMolweight | 397.231 |
| Molweight | 397.231 |
| MonoisotopicMass | 396.022187 |
| CLogP | 3.3667 |
| CLogS | -5.917 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 286.56 |
| Relative PSA | 0.2552 |
| PolarSurfaceArea | 98.27 |
| Druglikeness | -5.0214 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-cyanoacetamide | 2 - N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-cyanoacetamide
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