N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-chloro-4-nitrobenzamide
Formula:C21H15N3O4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-chloro-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-chloro-4-nitrobenzamide |
| MolecularFormula | C21H15N3O4BrCl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1C(N/N=C\c(cc1)ccc1OCc(cc1)ccc1Br)=O)=O |
| InChI | InChI=1S/C21H15BrClN3O4/c22-16-5-1-15(2-6-16)13-30-18-8-3-14(4-9-18)12-24-25-21(27)19-10-7-17(26(28)29)11-20(19)23/h1-12H,13H2,(H,25,27) |
| InChIK | ONUARRFPCDCPAO-UHFFFAOYSA-N |
| TotalMolweight | 488.724 |
| Molweight | 488.724 |
| MonoisotopicMass | 486.993445 |
| CLogP | 4.9593 |
| CLogS | -7.092 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 328.23 |
| Relative PSA | 0.23286 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.8622 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-chloro-4-nitrobenzamide | 2 - N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-chloro-4-nitrobenzamide
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