(4E)-4-[[3-[(Z)-(9-carboxy-2,3-dihydro-1H-acridin-4-ylidene)methyl]phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Formula:C36H28N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[[3-[(Z)-(9-carboxy-2,3-dihydro-1H-acridin-4-ylidene)methyl]phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is not a drug-like molecule.
| MolName | (4E)-4-[[3-[(Z)-(9-carboxy-2,3-dihydro-1H-acridin-4-ylidene)methyl]phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid |
| MolecularFormula | C36H28N2O4 |
| Smiles | OC(c1c(CCC/C2=C\c3cccc(/C=C4\c5nc6ccccc6c(C(O)=O)c5CCC4)c3)c2nc2ccccc12)=O |
| InChI | InChI=1S/C36H28N2O4/c39-35(40)31-25-12-1-3-16-29(25)37-33-23(10-6-14-27(31)33)19-21-8-5-9-22(18-21)20-24-11-7-15-28-32(36(41)42)26-13-2-4-17-30(26)38-34(24)28/h1-5,8-9,12-13,16-20H,6-7,10-11,14-15H2,(H,39,40)(H,41,42) |
| InChIK | FSZSCPSWUJNPNM-UHFFFAOYSA-N |
| TotalMolweight | 552.628 |
| Molweight | 552.628 |
| MonoisotopicMass | 552.204908 |
| CLogP | 6.677 |
| CLogS | -8.01 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 412.68 |
| Relative PSA | 0.17985 |
| PolarSurfaceArea | 100.38 |
| Druglikeness | -3.1742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45238 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 8 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-4-[[3-[(Z)-(9-carboxy-2,3-dihydro-1H-acridin-4-ylidene)methyl]phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid | 2 - (4E)-4-[[3-[(Z)-(9-carboxy-2,3-dihydro-1H-acridin-4-ylidene)methyl]phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
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