2,4-dinitro-N-[(Z)-[phenyl-(4-phenylcyclohexyl)methylidene]amino]aniline
Formula:C25H24N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(Z)-[phenyl-(4-phenylcyclohexyl)methylidene]amino]aniline is not a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-[phenyl-(4-phenylcyclohexyl)methylidene]amino]aniline |
| MolecularFormula | C25H24N4O4 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C(CC1)CCC1c1ccccc1)\c1ccccc1)=O |
| InChI | InChI=1S/C25H24N4O4/c30-28(31)22-15-16-23(24(17-22)29(32)33)26-27-25(20-9-5-2-6-10-20)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,15-17,19,21,26H,11-14H2 |
| InChIK | SSWTWLQIMLYTQC-UHFFFAOYSA-N |
| TotalMolweight | 444.49 |
| Molweight | 444.49 |
| MonoisotopicMass | 444.179756 |
| CLogP | 6.0241 |
| CLogS | -6.988 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 341.09 |
| Relative PSA | 0.24571 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -4.68 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2,4-dinitro-N-[(Z)-[phenyl-(4-phenylcyclohexyl)methylidene]amino]aniline | 2 - 2,4-dinitro-N-[(Z)-[phenyl-(4-phenylcyclohexyl)methylidene]amino]aniline
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