N-[(Z)-[2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine
Formula:C22H14N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C22H14N3OClS |
| Smiles | Clc(cc1)ccc1C(Oc1c2cccc1)=C/C2=N/Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C22H14ClN3OS/c23-15-11-9-14(10-12-15)20-13-18(16-5-1-3-7-19(16)27-20)25-26-22-24-17-6-2-4-8-21(17)28-22/h1-13H,(H,24,26) |
| InChIK | JMWJWKAINIPGIZ-UHFFFAOYSA-N |
| TotalMolweight | 403.892 |
| Molweight | 403.892 |
| MonoisotopicMass | 403.054609 |
| CLogP | 8.0292 |
| CLogS | -6.656 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 293.14 |
| Relative PSA | 0.21935 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 1.9465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine
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