[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate
Formula:C23H16N3O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate is not a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate |
| MolecularFormula | C23H16N3O2Cl |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(c1cc(-c2ccccc2)nc2ccccc12)=O |
| InChI | InChI=1S/C23H16ClN3O2/c24-17-12-10-16(11-13-17)22(25)27-29-23(28)19-14-21(15-6-2-1-3-7-15)26-20-9-5-4-8-18(19)20/h1-14H,(H2,25,27) |
| InChIK | OVPSTOSTDJDZED-UHFFFAOYSA-N |
| TotalMolweight | 401.852 |
| Molweight | 401.852 |
| MonoisotopicMass | 401.093104 |
| CLogP | 5.7443 |
| CLogS | -6.756 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.8 |
| Relative PSA | 0.20209 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -2.6601 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off