[(Z)-(3-benzylimidazo[4,5-f]quinolin-2-yl)methylideneamino]thiourea
Formula:C19H16N6S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-benzylimidazo[4,5-f]quinolin-2-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(3-benzylimidazo[4,5-f]quinolin-2-yl)methylideneamino]thiourea |
| MolecularFormula | C19H16N6S |
| Smiles | NC(N/N=C\c1nc(c2cccnc2cc2)c2n1Cc1ccccc1)=S |
| InChI | InChI=1S/C19H16N6S/c20-19(26)24-22-11-17-23-18-14-7-4-10-21-15(14)8-9-16(18)25(17)12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,20,24,26) |
| InChIK | MKJZSJPUQVBQHG-UHFFFAOYSA-N |
| TotalMolweight | 360.444 |
| Molweight | 360.444 |
| MonoisotopicMass | 360.115714 |
| CLogP | 2.8274 |
| CLogS | -3.552 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 280.15 |
| Relative PSA | 0.33928 |
| PolarSurfaceArea | 113.21 |
| Druglikeness | 4.3005 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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