(3Z)-5-bromo-3-(1H-indol-3-ylmethylidene)indole
Formula:C17H11N2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-5-bromo-3-(1H-indol-3-ylmethylidene)indole is a drug-like molecule.
| MolName | (3Z)-5-bromo-3-(1H-indol-3-ylmethylidene)indole |
| MolecularFormula | C17H11N2Br |
| Smiles | Brc(cc1)cc2c1N=C/C2=C\c1c[nH]c2c1cccc2 |
| InChI | InChI=1S/C17H11BrN2/c18-13-5-6-17-15(8-13)12(10-20-17)7-11-9-19-16-4-2-1-3-14(11)16/h1-10,19H |
| InChIK | RJIQYWZASKZYOG-UHFFFAOYSA-N |
| TotalMolweight | 323.192 |
| Molweight | 323.192 |
| MonoisotopicMass | 322.010559 |
| CLogP | 3.828 |
| CLogS | -4.68 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 211.79 |
| Relative PSA | 0.1204 |
| PolarSurfaceArea | 28.15 |
| Druglikeness | -1.0256 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-5-bromo-3-(1H-indol-3-ylmethylidene)indole | 2 - (3Z)-5-bromo-3-(1H-indol-3-ylmethylidene)indole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off