(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(4-nitrophenyl)methylidene]hydrazine
Formula:C13H8N4O2ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(4-nitrophenyl)methylidene]hydrazine is a drug-like molecule.
| MolName | (E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(4-nitrophenyl)methylidene]hydrazine |
| MolecularFormula | C13H8N4O2ClF3 |
| Smiles | N/N=C(\c(cc1)ccc1[N+]([O-])=O)/c(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C13H8ClF3N4O2/c14-10-5-8(13(15,16)17)6-19-12(10)11(20-18)7-1-3-9(4-2-7)21(22)23/h1-6H,18H2 |
| InChIK | IBCIESJDAALVFR-UHFFFAOYSA-N |
| TotalMolweight | 344.68 |
| Molweight | 344.68 |
| MonoisotopicMass | 344.028787 |
| CLogP | 2.3493 |
| CLogS | -5.372 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 231.82 |
| Relative PSA | 0.29406 |
| PolarSurfaceArea | 97.09 |
| Druglikeness | -15.072 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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