(2Z)-2-(2,4-dinitrophenoxy)imino-2-phenyl-N-tritylethanamine
Formula:C33H26N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(2,4-dinitrophenoxy)imino-2-phenyl-N-tritylethanamine is not a drug-like molecule.
| MolName | (2Z)-2-(2,4-dinitrophenoxy)imino-2-phenyl-N-tritylethanamine |
| MolecularFormula | C33H26N4O5 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1O/N=C(\CNC(c1ccccc1)(c1ccccc1)c1ccccc1)/c1ccccc1)=O |
| InChI | InChI=1S/C33H26N4O5/c38-36(39)29-21-22-32(31(23-29)37(40)41)42-35-30(25-13-5-1-6-14-25)24-34-33(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-23,34H,24H2 |
| InChIK | FEUZRDBDMFSFIU-UHFFFAOYSA-N |
| TotalMolweight | 558.592 |
| Molweight | 558.592 |
| MonoisotopicMass | 558.190321 |
| CLogP | 3.508 |
| CLogS | -8.131 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 428.24 |
| Relative PSA | 0.21906 |
| PolarSurfaceArea | 125.26 |
| Druglikeness | -2.708 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.38095 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 11 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 6 |
| Symmetricatoms | 16 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (2Z)-2-(2,4-dinitrophenoxy)imino-2-phenyl-N-tritylethanamine | 2 - (2Z)-2-(2,4-dinitrophenoxy)imino-2-phenyl-N-tritylethanamine
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