[(E)-[5-chloro-2-(furan-3-yl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene]amino] hydrogen sulfate
Formula:C14H10N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(E)-[5-chloro-2-(furan-3-yl)-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-(furan-3-yl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene]amino] hydrogen sulfate |
| MolecularFormula | C14H10N3O5ClS |
| Smiles | OS(O/N=C(\CC1)/c(cc2)c3n1c(-c1cocc1)nc3c2Cl)(=O)=O |
| InChI | InChI=1S/C14H10ClN3O5S/c15-10-2-1-9-11(17-23-24(19,20)21)3-5-18-13(9)12(10)16-14(18)8-4-6-22-7-8/h1-2,4,6-7H,3,5H2,(H,19,20,21) |
| InChIK | XNXLENZKHBXMDZ-UHFFFAOYSA-N |
| TotalMolweight | 367.768 |
| Molweight | 367.768 |
| MonoisotopicMass | 367.002969 |
| CLogP | 2.9768 |
| CLogS | -3.692 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 242.61 |
| Relative PSA | 0.39215 |
| PolarSurfaceArea | 115.3 |
| Druglikeness | 3.0168 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[5-chloro-2-(furan-3-yl)-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-(furan-3-yl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene]amino] hydrogen sulfate
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