N-[(Z)-[3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-ylidene]amino]aniline
Formula:C24H17N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-ylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-ylidene]amino]aniline |
| MolecularFormula | C24H17N3OS |
| Smiles | c1c(-c2ccccc2)nc(C2=Cc(cccc3)c3O/C2=N\Nc2ccccc2)s1 |
| InChI | InChI=1S/C24H17N3OS/c1-3-9-17(10-4-1)21-16-29-24(25-21)20-15-18-11-7-8-14-22(18)28-23(20)27-26-19-12-5-2-6-13-19/h1-16,26H |
| InChIK | RZJDIMODSUWKCA-UHFFFAOYSA-N |
| TotalMolweight | 395.485 |
| Molweight | 395.485 |
| MonoisotopicMass | 395.109232 |
| CLogP | 6.5809 |
| CLogS | -5.344 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 302.88 |
| Relative PSA | 0.2123 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 3.9349 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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