(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Formula:C21H16NO2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is a drug-like molecule.
| MolName | (4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid |
| MolecularFormula | C21H16NO2Cl |
| Smiles | OC(c1c(CCC/C2=C/c(cccc3)c3Cl)c2nc2ccccc12)=O |
| InChI | InChI=1S/C21H16ClNO2/c22-17-10-3-1-6-13(17)12-14-7-5-9-16-19(21(24)25)15-8-2-4-11-18(15)23-20(14)16/h1-4,6,8,10-12H,5,7,9H2,(H,24,25) |
| InChIK | XWSGVLPMCPZSSJ-UHFFFAOYSA-N |
| TotalMolweight | 349.816 |
| Molweight | 349.816 |
| MonoisotopicMass | 349.086956 |
| CLogP | 4.7743 |
| CLogS | -5.549 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 258.39 |
| Relative PSA | 0.14362 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | -3.0676 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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