[(E)-[amino-(4-iodophenyl)methylidene]amino] 2-(2-nitrophenyl)acetate
Formula:C15H12N3O4I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-iodophenyl)methylidene]amino] 2-(2-nitrophenyl)acetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-iodophenyl)methylidene]amino] 2-(2-nitrophenyl)acetate |
| MolecularFormula | C15H12N3O4I |
| Smiles | N/C(/c(cc1)ccc1I)=N/OC(Cc(cccc1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C15H12IN3O4/c16-12-7-5-10(6-8-12)15(17)18-23-14(20)9-11-3-1-2-4-13(11)19(21)22/h1-8H,9H2,(H2,17,18) |
| InChIK | DUSADKPUVWCVEY-UHFFFAOYSA-N |
| TotalMolweight | 425.177 |
| Molweight | 425.177 |
| MonoisotopicMass | 424.987255 |
| CLogP | 2.5857 |
| CLogS | -4.977 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 255.97 |
| Relative PSA | 0.31347 |
| PolarSurfaceArea | 110.5 |
| Druglikeness | -8.252 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(4-iodophenyl)methylidene]amino] 2-(2-nitrophenyl)acetate | 2 - [(E)-[amino-(4-iodophenyl)methylidene]amino] 2-(2-nitrophenyl)acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off