[(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 4-chlorobenzenesulfonate
Formula:C14H10N2O3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 4-chlorobenzenesulfonate is a drug-like molecule.
| MolName | [(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 4-chlorobenzenesulfonate |
| MolecularFormula | C14H10N2O3ClF3S |
| Smiles | N/C(/c1ccc(C(F)(F)F)cc1)=N/OS(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C14H10ClF3N2O3S/c15-11-5-7-12(8-6-11)24(21,22)23-20-13(19)9-1-3-10(4-2-9)14(16,17)18/h1-8H,(H2,19,20) |
| InChIK | JZJHOHVRPKUUOB-UHFFFAOYSA-N |
| TotalMolweight | 378.757 |
| Molweight | 378.757 |
| MonoisotopicMass | 378.005274 |
| CLogP | 4.7509 |
| CLogS | -4.123 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247.97 |
| Relative PSA | 0.26358 |
| PolarSurfaceArea | 90.13 |
| Druglikeness | -6.6668 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - [(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 4-chlorobenzenesulfonate | 2 - [(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 4-chlorobenzenesulfonate
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