(3Z)-3-[(5-bromo-1H-indol-3-yl)methylidene]-6-chloro-1H-indol-2-one
Formula:C17H10N2OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(5-bromo-1H-indol-3-yl)methylidene]-6-chloro-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(5-bromo-1H-indol-3-yl)methylidene]-6-chloro-1H-indol-2-one |
| MolecularFormula | C17H10N2OBrCl |
| Smiles | O=C1Nc(cc(cc2)Cl)c2/C1=C/c1c[nH]c(cc2)c1cc2Br |
| InChI | InChI=1S/C17H10BrClN2O/c18-10-1-4-15-13(6-10)9(8-20-15)5-14-12-3-2-11(19)7-16(12)21-17(14)22/h1-8,20H,(H,21,22) |
| InChIK | ITRSKGOMKGHMGT-UHFFFAOYSA-N |
| TotalMolweight | 373.636 |
| Molweight | 373.636 |
| MonoisotopicMass | 371.966501 |
| CLogP | 3.6363 |
| CLogS | -5.464 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 231.66 |
| Relative PSA | 0.16615 |
| PolarSurfaceArea | 44.89 |
| Druglikeness | 0.95914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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