N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
Formula:C18H13N3O2ClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide |
| MolecularFormula | C18H13N3O2ClI |
| Smiles | Oc(cc(cc1)C(N/N=C\c2cccn2-c(cc2)ccc2Cl)=O)c1I |
| InChI | InChI=1S/C18H13ClIN3O2/c19-13-4-6-14(7-5-13)23-9-1-2-15(23)11-21-22-18(25)12-3-8-16(20)17(24)10-12/h1-11,24H,(H,22,25) |
| InChIK | CSTNMEZMTCHBJH-UHFFFAOYSA-N |
| TotalMolweight | 465.673 |
| Molweight | 465.673 |
| MonoisotopicMass | 464.974102 |
| CLogP | 4.1379 |
| CLogS | -7.514 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 284 |
| Relative PSA | 0.19711 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 5.8728 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide | 2 - N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off