| MolName | 2-[(Z)-N-benzamido-C-(9H-fluoren-2-yl)carbonimidoyl]benzoic acid |
| MolecularFormula | C28H20N2O3 |
| Smiles | OC(c(cccc1)c1/C(/c(cc1)cc(C2)c1-c1c2cccc1)=N\NC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C28H20N2O3/c31-27(18-8-2-1-3-9-18)30-29-26(24-12-6-7-13-25(24)28(32)33)20-14-15-23-21(17-20)16-19-10-4-5-11-22(19)23/h1-15,17H,16H2,(H,30,31)(H,32,33) |
| InChIK | FOMORRMXMQJPQE-UHFFFAOYSA-N |
| TotalMolweight | 432.478 |
| Molweight | 432.478 |
| MonoisotopicMass | 432.147393 |
| CLogP | 5.9017 |
| CLogS | -8.221 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 329.08 |
| Relative PSA | 0.18886 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | 3.0085 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-N-benzamido-C-(9H-fluoren-2-yl)carbonimidoyl]benzoic acid | 2 - 2-[(Z)-N-benzamido-C-(9H-fluoren-2-yl)carbonimidoyl]benzoic acid