4-chloro-9H-pyrimido[4,5-b]indole
Formula:C10H6N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-9H-pyrimido[4,5-b]indole is a drug-like molecule.
| MolName | 4-chloro-9H-pyrimido[4,5-b]indole |
| MolecularFormula | C10H6N3Cl |
| Smiles | Clc1ncnc2c1c(cccc1)c1[nH]2 |
| InChI | InChI=1S/C10H6ClN3/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h1-5H,(H,12,13,14) |
| InChIK | ZCYULQVZSXKVFP-UHFFFAOYSA-N |
| TotalMolweight | 203.632 |
| Molweight | 203.632 |
| MonoisotopicMass | 203.025024 |
| CLogP | 2.439 |
| CLogS | -3.982 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 144.97 |
| Relative PSA | 0.24784 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | -0.7492 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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