2,4-dinitro-N-[(E)-(2-pyridin-2-ylcyclohexylidene)amino]aniline
Formula:C17H17N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(E)-(2-pyridin-2-ylcyclohexylidene)amino]aniline is a drug-like molecule.
| MolName | 2,4-dinitro-N-[(E)-(2-pyridin-2-ylcyclohexylidene)amino]aniline |
| MolecularFormula | C17H17N5O4 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\CCCC1)/C1c1ncccc1)=O |
| InChI | InChI=1S/C17H17N5O4/c23-21(24)12-8-9-16(17(11-12)22(25)26)20-19-15-7-2-1-5-13(15)14-6-3-4-10-18-14/h3-4,6,8-11,13,20H,1-2,5,7H2/t13-/m1/s1 |
| InChIK | OXWJCYWFEMNOSV-CYBMUJFWSA-N |
| TotalMolweight | 355.353 |
| Molweight | 355.353 |
| MonoisotopicMass | 355.128055 |
| CLogP | 3.5459 |
| CLogS | -4.393 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 267.59 |
| Relative PSA | 0.3542 |
| PolarSurfaceArea | 128.92 |
| Druglikeness | -8.89 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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1 - 2,4-dinitro-N-[(E)-(2-pyridin-2-ylcyclohexylidene)amino]aniline | 2 - 2,4-dinitro-N-[(E)-(2-pyridin-2-ylcyclohexylidene)amino]aniline
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