2-[(Z)-(4-prop-2-ynoxyphenyl)methylideneamino]guanidine
Formula:C11H12N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(4-prop-2-ynoxyphenyl)methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-(4-prop-2-ynoxyphenyl)methylideneamino]guanidine |
| MolecularFormula | C11H12N4O |
| Smiles | C#CCOc1ccc(/C=N\N=C(N)N)cc1 |
| InChI | InChI=1S/C11H12N4O/c1-2-7-16-10-5-3-9(4-6-10)8-14-15-11(12)13/h1,3-6,8H,7H2,(H4,12,13,15) |
| InChIK | UZMRHQFKPUGAGP-UHFFFAOYSA-N |
| TotalMolweight | 216.243 |
| Molweight | 216.243 |
| MonoisotopicMass | 216.101111 |
| CLogP | 1.8305 |
| CLogS | -3.632 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 185.6 |
| Relative PSA | 0.34246 |
| PolarSurfaceArea | 85.99 |
| Druglikeness | 1 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.8125 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-(4-prop-2-ynoxyphenyl)methylideneamino]guanidine | 2 - 2-[(Z)-(4-prop-2-ynoxyphenyl)methylideneamino]guanidine
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