N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-iodobenzamide
Formula:C14H9N3O3ClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-iodobenzamide is a drug-like molecule.
| MolName | N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-iodobenzamide |
| MolecularFormula | C14H9N3O3ClI |
| Smiles | [O-][N+](c(cc(/C=N/NC(c1cccc(I)c1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C14H9ClIN3O3/c15-12-5-4-9(6-13(12)19(21)22)8-17-18-14(20)10-2-1-3-11(16)7-10/h1-8H,(H,18,20) |
| InChIK | LNHPVPRHNDMGDK-UHFFFAOYSA-N |
| TotalMolweight | 429.596 |
| Molweight | 429.596 |
| MonoisotopicMass | 428.937717 |
| CLogP | 3.3231 |
| CLogS | -5.933 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 252.36 |
| Relative PSA | 0.26324 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.27827 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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