| MolName | 2-(4-cyanophenoxy)-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide |
| MolecularFormula | C24H19N3O3 |
| Smiles | N#Cc(cc1)ccc1OCC(N/N=C(\C1)/c(cccc2)c2OC1c1ccccc1)=O |
| InChI | InChI=1S/C24H19N3O3/c25-15-17-10-12-19(13-11-17)29-16-24(28)27-26-21-14-23(18-6-2-1-3-7-18)30-22-9-5-4-8-20(21)22/h1-13,23H,14,16H2,(H,27,28)/t23-/m1/s1 |
| InChIK | ADBNXVMCMFQURV-HSZRJFAPSA-N |
| TotalMolweight | 397.433 |
| Molweight | 397.433 |
| MonoisotopicMass | 397.142642 |
| CLogP | 4.212 |
| CLogS | -5.862 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 313.19 |
| Relative PSA | 0.22213 |
| PolarSurfaceArea | 83.71 |
| Druglikeness | -0.77803 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - 2-(4-cyanophenoxy)-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide | 2 - 2-(4-cyanophenoxy)-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide