(Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-imine
Formula:C26H24N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-imine |
| MolecularFormula | C26H24N4O2 |
| Smiles | [O-][N+](c1c(/C=C/C=N\N(CC2)CCN2C2c(cccc3)c3-c3c2cccc3)cccc1)=O |
| InChI | InChI=1S/C26H24N4O2/c31-30(32)25-14-6-1-8-20(25)9-7-15-27-29-18-16-28(17-19-29)26-23-12-4-2-10-21(23)22-11-3-5-13-24(22)26/h1-15,26H,16-19H2 |
| InChIK | JIKXIYMGLIPJKC-UHFFFAOYSA-N |
| TotalMolweight | 424.503 |
| Molweight | 424.503 |
| MonoisotopicMass | 424.189926 |
| CLogP | 3.079 |
| CLogS | -5.668 |
| H Acceptors | 6 |
| TotalSurfaceArea | 328.85 |
| Relative PSA | 0.1491 |
| PolarSurfaceArea | 64.66 |
| Druglikeness | 1.479 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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