(3Z)-6-chloro-2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-[[(6-chloro-1,3-benzothiazol-2-yl)amino]methylidene]chromen-4-one
Formula:C24H13N4O2Cl3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-6-chloro-2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-[[(6-chloro-1,3-benzothiazol-2-yl)amino]methylidene]chromen-4-one is not a drug-like molecule.
| MolName | (3Z)-6-chloro-2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-[[(6-chloro-1,3-benzothiazol-2-yl)amino]methylidene]chromen-4-one |
| MolecularFormula | C24H13N4O2Cl3S2 |
| Smiles | O=C(/C1=C\Nc2nc(ccc(Cl)c3)c3s2)c(cc(cc2)Cl)c2OC1Nc1nc(ccc(Cl)c2)c2s1 |
| InChI | InChI=1S/C24H13Cl3N4O2S2/c25-11-3-6-18-14(7-11)21(32)15(10-28-23-29-16-4-1-12(26)8-19(16)34-23)22(33-18)31-24-30-17-5-2-13(27)9-20(17)35-24/h1-10,22H,(H,28,29)(H,30,31)/t22-/m1/s1 |
| InChIK | VEGWMRHMHKAHPZ-JOCHJYFZSA-N |
| TotalMolweight | 559.884 |
| Molweight | 559.884 |
| MonoisotopicMass | 557.954547 |
| CLogP | 7.3292 |
| CLogS | -9.229 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 372.02 |
| Relative PSA | 0.29197 |
| PolarSurfaceArea | 132.62 |
| Druglikeness | 1.8922 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (3Z)-6-chloro-2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-[[(6-chloro-1,3-benzothiazol-2-yl)amino]methylidene]chromen-4-one | 2 - (3Z)-6-chloro-2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-[[(6-chloro-1,3-benzothiazol-2-yl)amino]methylidene]chromen-4-one
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