N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C19H14N4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C19H14N4Cl2S |
| Smiles | Clc1cc(Cl)c(Cn2c(/C=N\Nc3nc(cccc4)c4s3)ccc2)cc1 |
| InChI | InChI=1S/C19H14Cl2N4S/c20-14-8-7-13(16(21)10-14)12-25-9-3-4-15(25)11-22-24-19-23-17-5-1-2-6-18(17)26-19/h1-11H,12H2,(H,23,24) |
| InChIK | JSVSMXXKJSLKJD-UHFFFAOYSA-N |
| TotalMolweight | 401.32 |
| Molweight | 401.32 |
| MonoisotopicMass | 400.03162 |
| CLogP | 7.1221 |
| CLogS | -5.089 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.1 |
| Relative PSA | 0.20941 |
| PolarSurfaceArea | 70.45 |
| Druglikeness | 4.9629 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
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