(4E)-2-benzyl-4-[(2,3-dichlorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
Formula:C27H20N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-benzyl-4-[(2,3-dichlorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is a drug-like molecule.
| MolName | (4E)-2-benzyl-4-[(2,3-dichlorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid |
| MolecularFormula | C27H20N2O2Cl2 |
| Smiles | OC(c1c(CN(Cc2ccccc2)C/C2=C\c3cccc(Cl)c3Cl)c2nc2ccccc12)=O |
| InChI | InChI=1S/C27H20Cl2N2O2/c28-22-11-6-9-18(25(22)29)13-19-15-31(14-17-7-2-1-3-8-17)16-21-24(27(32)33)20-10-4-5-12-23(20)30-26(19)21/h1-13H,14-16H2,(H,32,33) |
| InChIK | ZJYKCZFUUAOIOU-UHFFFAOYSA-N |
| TotalMolweight | 475.374 |
| Molweight | 475.374 |
| MonoisotopicMass | 474.090182 |
| CLogP | 4.4338 |
| CLogS | -6.379 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 343.87 |
| Relative PSA | 0.11824 |
| PolarSurfaceArea | 53.43 |
| Druglikeness | 2.8294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.39394 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-2-benzyl-4-[(2,3-dichlorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid | 2 - (4E)-2-benzyl-4-[(2,3-dichlorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
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