(Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-imine
Formula:C26H25N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-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-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-imine |
| MolecularFormula | C26H25N4O2 |
| Smiles | [O-][N+](c1c(/C=C/C=N\N(CC2)CC[NH+]2C2c(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/p+1 |
| InChIK | JIKXIYMGLIPJKC-UHFFFAOYSA-O |
| TotalMolweight | 425.511 |
| Molweight | 425.511 |
| MonoisotopicMass | 425.197751 |
| CLogP | 3.2106 |
| CLogS | -5.668 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 342.89 |
| Relative PSA | 0.18394 |
| PolarSurfaceArea | 65.86 |
| Druglikeness | -0.93265 |
| 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 |
Click to Load Molecule:
1 - (Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-imine | 2 - (Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-imine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off