[(E)-[amino(pyridin-4-yl)methylidene]amino] phenothiazine-10-carboxylate
Formula:C19H14N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(E)-[amino(pyridin-4-yl)methylidene]amino] phenothiazine-10-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-4-yl)methylidene]amino] phenothiazine-10-carboxylate |
| MolecularFormula | C19H14N4O2S |
| Smiles | N/C(/c1ccncc1)=N/OC(N1c(cccc2)c2Sc2c1cccc2)=O |
| InChI | InChI=1S/C19H14N4O2S/c20-18(13-9-11-21-12-10-13)22-25-19(24)23-14-5-1-3-7-16(14)26-17-8-4-2-6-15(17)23/h1-12H,(H2,20,22) |
| InChIK | VWQCWAIYJQLVFU-UHFFFAOYSA-N |
| TotalMolweight | 362.412 |
| Molweight | 362.412 |
| MonoisotopicMass | 362.083746 |
| CLogP | 4.6052 |
| CLogS | -5.953 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 265.07 |
| Relative PSA | 0.30871 |
| PolarSurfaceArea | 106.11 |
| Druglikeness | -3.6545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-4-yl)methylidene]amino] phenothiazine-10-carboxylate | 2 - [(E)-[amino(pyridin-4-yl)methylidene]amino] phenothiazine-10-carboxylate
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