2-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
Formula:C19H18N4O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine |
| MolecularFormula | C19H18N4O |
| Smiles | NC(N)=N/N=C\c(cc1)ccc1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C19H18N4O/c20-19(21)23-22-12-14-8-10-17(11-9-14)24-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-12H,13H2,(H4,20,21,23) |
| InChIK | SKTPXAMCYVFMEG-UHFFFAOYSA-N |
| TotalMolweight | 318.379 |
| Molweight | 318.379 |
| MonoisotopicMass | 318.148061 |
| CLogP | 4.4158 |
| CLogS | -5.937 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 256.15 |
| Relative PSA | 0.24814 |
| PolarSurfaceArea | 85.99 |
| Druglikeness | 0.94978 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine | 2 - 2-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
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