N-[(Z)-(3-nitrophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
Formula:C23H18N3O4P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine |
| MolecularFormula | C23H18N3O4P |
| Smiles | [O-][N+](c1cccc(/C=N\NP2(C=C(c3ccccc3)OC(c3ccccc3)=C2)=O)c1)=O |
| InChI | InChI=1S/C23H18N3O4P/c27-26(28)21-13-7-8-18(14-21)15-24-25-31(29)16-22(19-9-3-1-4-10-19)30-23(17-31)20-11-5-2-6-12-20/h1-17H,(H,25,29) |
| InChIK | OVKJBEGYDFQFGT-UHFFFAOYSA-N |
| TotalMolweight | 431.387 |
| Molweight | 431.387 |
| MonoisotopicMass | 431.103494 |
| CLogP | 3.8584 |
| CLogS | -4.021 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 322.36 |
| Relative PSA | 0.24944 |
| PolarSurfaceArea | 106.32 |
| Druglikeness | -17.277 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(3-nitrophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine | 2 - N-[(Z)-(3-nitrophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
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