(2Z)-2-benzamido-2-(2-nitrofluoren-9-ylidene)acetate
Formula:C22H13N2O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-benzamido-2-(2-nitrofluoren-9-ylidene)acetate is a drug-like molecule.
| MolName | (2Z)-2-benzamido-2-(2-nitrofluoren-9-ylidene)acetate |
| MolecularFormula | C22H13N2O5 |
| Smiles | [O-]C(/C(/NC(c1ccccc1)=O)=C1/c(cc(cc2)[N+]([O-])=O)c2-c2c1cccc2)=O |
| InChI | InChI=1S/C22H14N2O5/c25-21(13-6-2-1-3-7-13)23-20(22(26)27)19-17-9-5-4-8-15(17)16-11-10-14(24(28)29)12-18(16)19/h1-12H,(H,23,25)(H,26,27)/p-1 |
| InChIK | KIMLCUKBARWZBP-UHFFFAOYSA-M |
| TotalMolweight | 385.354 |
| Molweight | 385.354 |
| MonoisotopicMass | 385.082448 |
| CLogP | 1.1981 |
| CLogS | -6.039 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 280.36 |
| Relative PSA | 0.29334 |
| PolarSurfaceArea | 115.05 |
| Druglikeness | -2.3859 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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