N,N'-bis[4-[(E)-2-quinolin-4-ylethenyl]phenyl]methanimidamide
Formula:C35H26N4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N,N'-bis[4-[(E)-2-quinolin-4-ylethenyl]phenyl]methanimidamide is not a drug-like molecule.
| MolName | N,N'-bis[4-[(E)-2-quinolin-4-ylethenyl]phenyl]methanimidamide |
| MolecularFormula | C35H26N4 |
| Smiles | C(c(cc1)ccc1N/C=N/c1ccc(/C=C/c2ccnc3ccccc23)cc1)=C/c1ccnc2ccccc12 |
| InChI | InChI=1S/C35H26N4/c1-3-7-34-32(5-1)28(21-23-36-34)15-9-26-11-17-30(18-12-26)38-25-39-31-19-13-27(14-20-31)10-16-29-22-24-37-35-8-4-2-6-33(29)35/h1-25H,(H,38,39) |
| InChIK | NYWLOIFNDMKLCD-UHFFFAOYSA-N |
| TotalMolweight | 502.619 |
| Molweight | 502.619 |
| MonoisotopicMass | 502.215746 |
| CLogP | 7.479 |
| CLogS | -9.029 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 408.48 |
| Relative PSA | 0.10994 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 0.15202 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64103 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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