2-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]guanidine
Formula:C22H22N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]guanidine |
| MolecularFormula | C22H22N4O2 |
| Smiles | NC(N)=N/N=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1 |
| InChI | InChI=1S/C22H22N4O2/c23-22(24)26-25-14-19-11-12-20(27-15-17-7-3-1-4-8-17)21(13-19)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H4,23,24,26) |
| InChIK | VYPZWWVRCGDIMK-UHFFFAOYSA-N |
| TotalMolweight | 374.443 |
| Molweight | 374.443 |
| MonoisotopicMass | 374.174276 |
| CLogP | 4.5695 |
| CLogS | -5.672 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 305.07 |
| Relative PSA | 0.24112 |
| PolarSurfaceArea | 95.22 |
| Druglikeness | 0.94978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]guanidine | 2 - 2-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]guanidine
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