(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine
Formula:C24H23N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine |
| MolecularFormula | C24H23N4O2 |
| Smiles | [O-][N+](c1c(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cccc1)=O |
| InChI | InChI=1S/C24H22N4O2/c29-28(30)23-12-6-1-7-18(23)17-25-27-15-13-26(14-16-27)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,17,24H,13-16H2/p+1 |
| InChIK | YDZTVMFLSZTBCN-UHFFFAOYSA-O |
| TotalMolweight | 399.473 |
| Molweight | 399.473 |
| MonoisotopicMass | 399.182101 |
| CLogP | 3.1923 |
| CLogS | -5.376 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 316.39 |
| Relative PSA | 0.19934 |
| PolarSurfaceArea | 65.86 |
| Druglikeness | -0.91559 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| 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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1 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine | 2 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine
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