[(E)-[amino-(3-bromophenyl)methylidene]amino] phenothiazine-10-carboxylate
Formula:C20H14N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(E)-[amino-(3-bromophenyl)methylidene]amino] phenothiazine-10-carboxylate is not a drug-like molecule.
| MolName | [(E)-[amino-(3-bromophenyl)methylidene]amino] phenothiazine-10-carboxylate |
| MolecularFormula | C20H14N3O2BrS |
| Smiles | N/C(/c1cccc(Br)c1)=N/OC(N1c(cccc2)c2Sc2c1cccc2)=O |
| InChI | InChI=1S/C20H14BrN3O2S/c21-14-7-5-6-13(12-14)19(22)23-26-20(25)24-15-8-1-3-10-17(15)27-18-11-4-2-9-16(18)24/h1-12H,(H2,22,23) |
| InChIK | JRRSEONXCRUROK-UHFFFAOYSA-N |
| TotalMolweight | 440.32 |
| Molweight | 440.32 |
| MonoisotopicMass | 438.999008 |
| CLogP | 6.3313 |
| CLogS | -7.582 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.94 |
| Relative PSA | 0.24868 |
| PolarSurfaceArea | 93.22 |
| Druglikeness | -5.4445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-(3-bromophenyl)methylidene]amino] phenothiazine-10-carboxylate | 2 - [(E)-[amino-(3-bromophenyl)methylidene]amino] phenothiazine-10-carboxylate
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