[(E)-[amino-(4-nitrophenyl)methylidene]amino] phenothiazine-10-carboxylate
Formula:C20H14N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(E)-[amino-(4-nitrophenyl)methylidene]amino] phenothiazine-10-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-nitrophenyl)methylidene]amino] phenothiazine-10-carboxylate |
| MolecularFormula | C20H14N4O4S |
| Smiles | N/C(/c(cc1)ccc1[N+]([O-])=O)=N/OC(N1c(cccc2)c2Sc2c1cccc2)=O |
| InChI | InChI=1S/C20H14N4O4S/c21-19(13-9-11-14(12-10-13)24(26)27)22-28-20(25)23-15-5-1-3-7-17(15)29-18-8-4-2-6-16(18)23/h1-12H,(H2,21,22) |
| InChIK | OSRYTQCATQFLBX-UHFFFAOYSA-N |
| TotalMolweight | 406.421 |
| Molweight | 406.421 |
| MonoisotopicMass | 406.073576 |
| CLogP | 4.6845 |
| CLogS | -7.208 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 289.98 |
| Relative PSA | 0.34927 |
| PolarSurfaceArea | 139.04 |
| Druglikeness | -8.7019 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(E)-[amino-(4-nitrophenyl)methylidene]amino] phenothiazine-10-carboxylate | 2 - [(E)-[amino-(4-nitrophenyl)methylidene]amino] phenothiazine-10-carboxylate
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