N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
Formula:C27H20N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide |
| MolecularFormula | C27H20N3O3Cl |
| Smiles | O=C(CN(c1cccc2cccc3c12)C3=O)N/N=C\c(cc1)ccc1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C27H20ClN3O3/c28-23-9-2-1-5-20(23)17-34-21-13-11-18(12-14-21)15-29-30-25(32)16-31-24-10-4-7-19-6-3-8-22(26(19)24)27(31)33/h1-15H,16-17H2,(H,30,32) |
| InChIK | NQGDPSVCXZJPFX-UHFFFAOYSA-N |
| TotalMolweight | 469.927 |
| Molweight | 469.927 |
| MonoisotopicMass | 469.119319 |
| CLogP | 5.4737 |
| CLogS | -7.568 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 348.84 |
| Relative PSA | 0.17945 |
| PolarSurfaceArea | 71 |
| Druglikeness | 6.1683 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide | 2 - N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off