N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C25H18N3OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C25H18N3OClS |
| Smiles | Clc1ccc(COc2c(/C=N\Nc3nc(cccc4)c4s3)c3ccccc3cc2)cc1 |
| InChI | InChI=1S/C25H18ClN3OS/c26-19-12-9-17(10-13-19)16-30-23-14-11-18-5-1-2-6-20(18)21(23)15-27-29-25-28-22-7-3-4-8-24(22)31-25/h1-15H,16H2,(H,28,29) |
| InChIK | GBFDQSOTDLFJPL-UHFFFAOYSA-N |
| TotalMolweight | 443.957 |
| Molweight | 443.957 |
| MonoisotopicMass | 443.085909 |
| CLogP | 8.7918 |
| CLogS | -7.799 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 332.08 |
| Relative PSA | 0.19363 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 2.0929 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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