4-[[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]oxymethyl]benzonitrile
Formula:C29H24N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]oxymethyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]oxymethyl]benzonitrile |
| MolecularFormula | C29H24N2O3 |
| Smiles | N#Cc1ccc(CO/N=C\c(cc2)cc(OCc3ccccc3)c2OCc2ccccc2)cc1 |
| InChI | InChI=1S/C29H24N2O3/c30-18-23-11-13-26(14-12-23)22-34-31-19-27-15-16-28(32-20-24-7-3-1-4-8-24)29(17-27)33-21-25-9-5-2-6-10-25/h1-17,19H,20-22H2 |
| InChIK | ITUGZYKDTFTZMP-UHFFFAOYSA-N |
| TotalMolweight | 448.521 |
| Molweight | 448.521 |
| MonoisotopicMass | 448.178693 |
| CLogP | 6.3675 |
| CLogS | -7.097 |
| H Acceptors | 5 |
| TotalSurfaceArea | 370.29 |
| Relative PSA | 0.14872 |
| PolarSurfaceArea | 63.84 |
| Druglikeness | -4.3816 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| StereoCon |
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