(3Z)-3-[(4-phenyl-1,3-thiazol-2-yl)imino]isoindol-1-amine
Formula:C17H12N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(4-phenyl-1,3-thiazol-2-yl)imino]isoindol-1-amine is a drug-like molecule.
| MolName | (3Z)-3-[(4-phenyl-1,3-thiazol-2-yl)imino]isoindol-1-amine |
| MolecularFormula | C17H12N4S |
| Smiles | NC(c1c2cccc1)=N/C2=N\c1nc(-c2ccccc2)cs1 |
| InChI | InChI=1S/C17H12N4S/c18-15-12-8-4-5-9-13(12)16(20-15)21-17-19-14(10-22-17)11-6-2-1-3-7-11/h1-10H,(H2,18,19,20,21) |
| InChIK | DDOQZXDJQBVWOH-UHFFFAOYSA-N |
| TotalMolweight | 304.376 |
| Molweight | 304.376 |
| MonoisotopicMass | 304.078266 |
| CLogP | 3.0653 |
| CLogS | -4.856 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 228.44 |
| Relative PSA | 0.30476 |
| PolarSurfaceArea | 91.87 |
| Druglikeness | 1.6447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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