2-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]guanidine
Formula:C9H9N4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]guanidine |
| MolecularFormula | C9H9N4F3 |
| Smiles | NC(N)=N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C9H9F3N4/c10-9(11,12)7-4-2-1-3-6(7)5-15-16-8(13)14/h1-5H,(H4,13,14,16) |
| InChIK | KTAIFQOKKAMUDS-UHFFFAOYSA-N |
| TotalMolweight | 230.192 |
| Molweight | 230.192 |
| MonoisotopicMass | 230.07793 |
| CLogP | 2.7216 |
| CLogS | -3.768 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 167.49 |
| Relative PSA | 0.31978 |
| PolarSurfaceArea | 76.76 |
| Druglikeness | -5.5991 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]guanidine | 2 - 2-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]guanidine
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