(4Z)-4-[[4-(N-phenylanilino)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Formula:C33H26N2O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(4Z)-4-[[4-(N-phenylanilino)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is not a drug-like molecule.
| MolName | (4Z)-4-[[4-(N-phenylanilino)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid |
| MolecularFormula | C33H26N2O2 |
| Smiles | OC(c1c(CCC/C2=C/c(cc3)ccc3N(c3ccccc3)c3ccccc3)c2nc2ccccc12)=O |
| InChI | InChI=1S/C33H26N2O2/c36-33(37)31-28-15-7-8-17-30(28)34-32-24(10-9-16-29(31)32)22-23-18-20-27(21-19-23)35(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,11-15,17-22H,9-10,16H2,(H,36,37) |
| InChIK | UJXDXADVLARHIN-UHFFFAOYSA-N |
| TotalMolweight | 482.581 |
| Molweight | 482.581 |
| MonoisotopicMass | 482.199428 |
| CLogP | 6.7627 |
| CLogS | -8.989 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 372.79 |
| Relative PSA | 0.10907 |
| PolarSurfaceArea | 53.43 |
| Druglikeness | -2.0267 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4Z)-4-[[4-(N-phenylanilino)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid | 2 - (4Z)-4-[[4-(N-phenylanilino)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
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