N-[(Z)-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C19H15N4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C19H15N4ClS |
| Smiles | Clc1ccc(Cn2c(/C=N\Nc3nc(cccc4)c4s3)ccc2)cc1 |
| InChI | InChI=1S/C19H15ClN4S/c20-15-9-7-14(8-10-15)13-24-11-3-4-16(24)12-21-23-19-22-17-5-1-2-6-18(17)25-19/h1-12H,13H2,(H,22,23) |
| InChIK | SHQRFQITURZQSG-UHFFFAOYSA-N |
| TotalMolweight | 366.875 |
| Molweight | 366.875 |
| MonoisotopicMass | 366.070593 |
| CLogP | 6.5161 |
| CLogS | -4.353 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.68 |
| Relative PSA | 0.22109 |
| PolarSurfaceArea | 70.45 |
| Druglikeness | 4.9629 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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