(5Z)-2-amino-5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one
Formula:C17H13N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-amino-5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-2-amino-5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C17H13N2O2ClS |
| Smiles | NC(S/C1=C\c(cc2)cc(Cl)c2OCc2ccccc2)=NC1=O |
| InChI | InChI=1S/C17H13ClN2O2S/c18-13-8-12(9-15-16(21)20-17(19)23-15)6-7-14(13)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,20,21) |
| InChIK | CQHBVXCLFAUKIV-UHFFFAOYSA-N |
| TotalMolweight | 344.821 |
| Molweight | 344.821 |
| MonoisotopicMass | 344.038625 |
| CLogP | 2.9521 |
| CLogS | -5.366 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 250.14 |
| Relative PSA | 0.26909 |
| PolarSurfaceArea | 89.98 |
| Druglikeness | 2.0961 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-amino-5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-amino-5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one
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