2,4-dichloro-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]benzamide
Formula:C18H12N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H12N4O3Cl2 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\NC(c(ccc(Cl)c2)c2Cl)=O)ccc1)=O |
| InChI | InChI=1S/C18H12Cl2N4O3/c19-12-3-8-16(17(20)10-12)18(25)22-21-11-15-2-1-9-23(15)13-4-6-14(7-5-13)24(26)27/h1-11H,(H,22,25) |
| InChIK | CUFGRFBZIZHSQJ-UHFFFAOYSA-N |
| TotalMolweight | 403.224 |
| Molweight | 403.224 |
| MonoisotopicMass | 402.028645 |
| CLogP | 3.7309 |
| CLogS | -7.99 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.46 |
| Relative PSA | 0.25236 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | 0.36337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2,4-dichloro-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]benzamide | 2 - 2,4-dichloro-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off