N-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]-1,3-benzothiazol-2-amine
Formula:C20H19N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C20H19N3S |
| Smiles | C(CC/C1=N\Nc2nc(cccc3)c3s2)C/C1=C\c1ccccc1 |
| InChI | InChI=1S/C20H19N3S/c1-2-8-15(9-3-1)14-16-10-4-5-11-17(16)22-23-20-21-18-12-6-7-13-19(18)24-20/h1-3,6-9,12-14H,4-5,10-11H2,(H,21,23) |
| InChIK | UCJMFRVVCVSPKS-UHFFFAOYSA-N |
| TotalMolweight | 333.458 |
| Molweight | 333.458 |
| MonoisotopicMass | 333.129967 |
| CLogP | 7.1412 |
| CLogS | -5.372 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 263 |
| Relative PSA | 0.20646 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -2.8338 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]-1,3-benzothiazol-2-amine | 2 - N-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]-1,3-benzothiazol-2-amine
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