9-chloro-5-phenylbenzimidazolo[2,1-a]phthalazin-12-ium
Formula:C20H13N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
9-chloro-5-phenylbenzimidazolo[2,1-a]phthalazin-12-ium is a drug-like molecule.
| MolName | 9-chloro-5-phenylbenzimidazolo[2,1-a]phthalazin-12-ium |
| MolecularFormula | C20H13N3Cl |
| Smiles | Clc(cc1)cc2c1[nH+]c1n2nc(-c2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C20H12ClN3/c21-14-10-11-17-18(12-14)24-20(22-17)16-9-5-4-8-15(16)19(23-24)13-6-2-1-3-7-13/h1-12H/p+1 |
| InChIK | XXYCCDBUWBKNRU-UHFFFAOYSA-O |
| TotalMolweight | 330.797 |
| Molweight | 330.797 |
| MonoisotopicMass | 330.079799 |
| CLogP | 2.5745 |
| CLogS | -6.954 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.44 |
| Relative PSA | 0.082462 |
| PolarSurfaceArea | 31.44 |
| Druglikeness | 2.1225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 9-chloro-5-phenylbenzimidazolo[2,1-a]phthalazin-12-ium | 2 - 9-chloro-5-phenylbenzimidazolo[2,1-a]phthalazin-12-ium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off