(Z,E)-N-(benzhydrylideneamino)-3-(2-nitrophenyl)prop-2-en-1-imine
Formula:C22H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z,E)-N-(benzhydrylideneamino)-3-(2-nitrophenyl)prop-2-en-1-imine is not a drug-like molecule.
| MolName | (Z,E)-N-(benzhydrylideneamino)-3-(2-nitrophenyl)prop-2-en-1-imine |
| MolecularFormula | C22H17N3O2 |
| Smiles | [O-][N+](c1c(/C=C/C=N\N=C(c2ccccc2)c2ccccc2)cccc1)=O |
| InChI | InChI=1S/C22H17N3O2/c26-25(27)21-16-8-7-10-18(21)15-9-17-23-24-22(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-17H |
| InChIK | XBOABALBBNNQJD-UHFFFAOYSA-N |
| TotalMolweight | 355.396 |
| Molweight | 355.396 |
| MonoisotopicMass | 355.132077 |
| CLogP | 5.079 |
| CLogS | -6.66 |
| H Acceptors | 5 |
| TotalSurfaceArea | 290.68 |
| Relative PSA | 0.18384 |
| PolarSurfaceArea | 70.54 |
| Druglikeness | -3.465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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