(NE)-N-(2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)hydroxylamine;hydrochloride
Formula:HCl.C11H11N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)hydroxylamine;hydrochloride is a drug-like molecule.
| MolName | (NE)-N-(2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)hydroxylamine;hydrochloride |
| MolecularFormula | HCl.C11H11N3O |
| Smiles | Cc1nc2cccc3c2n1CC/C3=N\O.Cl |
| InChI | InChI=1S/C11H11N3O.ClH/c1-7-12-10-4-2-3-8-9(13-15)5-6-14(7)11(8)10;/h2-4,15H,5-6H2,1H3;1H |
| InChIK | VMYXFCCSYZSYRR-UHFFFAOYSA-N |
| TotalMolweight | 237.689 |
| Molweight | 201.228 |
| MonoisotopicMass | 201.090212 |
| CLogP | 2.9092 |
| CLogS | -1.998 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 151.42 |
| Relative PSA | 0.28035 |
| PolarSurfaceArea | 50.41 |
| Druglikeness | 2.3331 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 2 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NE)-N-(2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)hydroxylamine;hydrochloride | 2 - (NE)-N-(2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)hydroxylamine;hydrochloride
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