2-[[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]indol-1-yl]methyl]benzonitrile
Formula:C24H17N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]indol-1-yl]methyl]benzonitrile is not a drug-like molecule.
| MolName | 2-[[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]indol-1-yl]methyl]benzonitrile |
| MolecularFormula | C24H17N5S |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=N\Nc3nc(cccc4)c4s3)c2)cccc1 |
| InChI | InChI=1S/C24H17N5S/c25-13-17-7-1-2-8-18(17)15-29-16-19(20-9-3-5-11-22(20)29)14-26-28-24-27-21-10-4-6-12-23(21)30-24/h1-12,14,16H,15H2,(H,27,28) |
| InChIK | OHOMASPZDOHKRM-UHFFFAOYSA-N |
| TotalMolweight | 407.5 |
| Molweight | 407.5 |
| MonoisotopicMass | 407.120465 |
| CLogP | 7.0086 |
| CLogS | -5.867 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.57 |
| Relative PSA | 0.23532 |
| PolarSurfaceArea | 94.24 |
| Druglikeness | 0.30025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]indol-1-yl]methyl]benzonitrile | 2 - 2-[[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]indol-1-yl]methyl]benzonitrile
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