2-[(Z)-(8-phenylmethoxyquinolin-2-yl)methylideneamino]guanidine
Formula:C18H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(8-phenylmethoxyquinolin-2-yl)methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-(8-phenylmethoxyquinolin-2-yl)methylideneamino]guanidine |
| MolecularFormula | C18H17N5O |
| Smiles | NC(N)=N/N=C\c1ccc(cccc2OCc3ccccc3)c2n1 |
| InChI | InChI=1S/C18H17N5O/c19-18(20)23-21-11-15-10-9-14-7-4-8-16(17(14)22-15)24-12-13-5-2-1-3-6-13/h1-11H,12H2,(H4,19,20,23) |
| InChIK | NHNDYSMOBYHFIK-UHFFFAOYSA-N |
| TotalMolweight | 319.367 |
| Molweight | 319.367 |
| MonoisotopicMass | 319.14331 |
| CLogP | 3.5914 |
| CLogS | -5.061 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 254.91 |
| Relative PSA | 0.29238 |
| PolarSurfaceArea | 98.88 |
| Druglikeness | 0.94978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-(8-phenylmethoxyquinolin-2-yl)methylideneamino]guanidine | 2 - 2-[(Z)-(8-phenylmethoxyquinolin-2-yl)methylideneamino]guanidine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off