[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] phenothiazine-10-carboxylate
Formula:C21H16N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] phenothiazine-10-carboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] phenothiazine-10-carboxylate |
| MolecularFormula | C21H16N4O4S |
| Smiles | N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(N1c(cccc2)c2Sc2c1cccc2)=O |
| InChI | InChI=1S/C21H16N4O4S/c22-20(13-14-9-11-15(12-10-14)25(27)28)23-29-21(26)24-16-5-1-3-7-18(16)30-19-8-4-2-6-17(19)24/h1-12H,13H2,(H2,22,23) |
| InChIK | JBKDGZARAZZIPM-UHFFFAOYSA-N |
| TotalMolweight | 420.448 |
| Molweight | 420.448 |
| MonoisotopicMass | 420.089226 |
| CLogP | 4.6826 |
| CLogS | -7.173 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 303.74 |
| Relative PSA | 0.33344 |
| PolarSurfaceArea | 139.04 |
| Druglikeness | -8.768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] phenothiazine-10-carboxylate | 2 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] phenothiazine-10-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off