2,4,5-trichloro-6-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
Formula:C13H6N5O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2,4,5-trichloro-6-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile is a drug-like molecule.
| MolName | 2,4,5-trichloro-6-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile |
| MolecularFormula | C13H6N5O2Cl3 |
| Smiles | N#Cc(c(Cl)nc(N/N=C\c(cc1)ccc1[N+]([O-])=O)c1Cl)c1Cl |
| InChI | InChI=1S/C13H6Cl3N5O2/c14-10-9(5-17)12(16)19-13(11(10)15)20-18-6-7-1-3-8(4-2-7)21(22)23/h1-4,6H,(H,19,20) |
| InChIK | RONJPEQKODPANX-UHFFFAOYSA-N |
| TotalMolweight | 370.583 |
| Molweight | 370.583 |
| MonoisotopicMass | 368.958706 |
| CLogP | 4.8504 |
| CLogS | -6.083 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 259.64 |
| Relative PSA | 0.30011 |
| PolarSurfaceArea | 106.89 |
| Druglikeness | -7.3842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65217 |
| 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 | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2,4,5-trichloro-6-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile | 2 - 2,4,5-trichloro-6-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
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