(E)-(diaminomethylideneamino)-[[2-(trifluoromethyl)phenyl]methylidene]azanium
Formula:C9H10N4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(diaminomethylideneamino)-[[2-(trifluoromethyl)phenyl]methylidene]azanium is a drug-like molecule.
| MolName | (E)-(diaminomethylideneamino)-[[2-(trifluoromethyl)phenyl]methylidene]azanium |
| MolecularFormula | C9H10N4F3 |
| Smiles | NC(N)=N/[NH+]=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)/p+1 |
| InChIK | KTAIFQOKKAMUDS-UHFFFAOYSA-O |
| TotalMolweight | 231.2 |
| Molweight | 231.2 |
| MonoisotopicMass | 231.085755 |
| CLogP | 2.1051 |
| CLogS | -3.768 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 155.98 |
| Relative PSA | 0.26959 |
| PolarSurfaceArea | 78.37 |
| Druglikeness | -8.9388 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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 - (E)-(diaminomethylideneamino)-[[2-(trifluoromethyl)phenyl]methylidene]azanium | 2 - (E)-(diaminomethylideneamino)-[[2-(trifluoromethyl)phenyl]methylidene]azanium
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