[(E)-(5-chloro-2-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)amino] hydrogen sulfate
Formula:C16H12N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(E)-(5-chloro-2-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)amino] hydrogen sulfate is a drug-like molecule.
| MolName | [(E)-(5-chloro-2-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)amino] hydrogen sulfate |
| MolecularFormula | C16H12N3O4ClS |
| Smiles | OS(O/N=C(\CC1)/c(cc2)c3n1c(-c1ccccc1)nc3c2Cl)(=O)=O |
| InChI | InChI=1S/C16H12ClN3O4S/c17-12-7-6-11-13(19-24-25(21,22)23)8-9-20-15(11)14(12)18-16(20)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,21,22,23) |
| InChIK | IWVGXFGRRSHJTH-UHFFFAOYSA-N |
| TotalMolweight | 377.807 |
| Molweight | 377.807 |
| MonoisotopicMass | 377.023704 |
| CLogP | 3.8421 |
| CLogS | -4.034 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 252.92 |
| Relative PSA | 0.32038 |
| PolarSurfaceArea | 102.16 |
| Druglikeness | 4 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(5-chloro-2-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)amino] hydrogen sulfate | 2 - [(E)-(5-chloro-2-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)amino] hydrogen sulfate
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