2,4-dinitro-N-[(Z)-(3-phenyl-1-pyridin-3-ylpropylidene)amino]aniline
Formula:C20H17N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(Z)-(3-phenyl-1-pyridin-3-ylpropylidene)amino]aniline is a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-(3-phenyl-1-pyridin-3-ylpropylidene)amino]aniline |
| MolecularFormula | C20H17N5O4 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/CCc1ccccc1)\c1cnccc1)=O |
| InChI | InChI=1S/C20H17N5O4/c26-24(27)17-9-11-19(20(13-17)25(28)29)23-22-18(16-7-4-12-21-14-16)10-8-15-5-2-1-3-6-15/h1-7,9,11-14,23H,8,10H2 |
| InChIK | UNLWEJKWIIVZIR-UHFFFAOYSA-N |
| TotalMolweight | 391.386 |
| Molweight | 391.386 |
| MonoisotopicMass | 391.128055 |
| CLogP | 3.831 |
| CLogS | -5.039 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 300.83 |
| Relative PSA | 0.31506 |
| PolarSurfaceArea | 128.92 |
| Druglikeness | -5.0132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2,4-dinitro-N-[(Z)-(3-phenyl-1-pyridin-3-ylpropylidene)amino]aniline | 2 - 2,4-dinitro-N-[(Z)-(3-phenyl-1-pyridin-3-ylpropylidene)amino]aniline
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