N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
Formula:C27H20N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(3-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)ccc1OCc1cccc(Cl)c1 |
| InChI | InChI=1S/C27H20ClN3O3/c28-21-7-1-4-19(14-21)17-34-22-12-10-18(11-13-22)15-29-30-25(32)16-31-24-9-3-6-20-5-2-8-23(26(20)24)27(31)33/h1-15H,16-17H2,(H,30,32) |
| InChIK | FUSIMTYXNSTTAU-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 |
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1 - N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide | 2 - N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
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