58473-97-5 1-(1-adamantyl)-5-mercaptotetrazol
Molecular Weight | 236.33654 [g/mol] | |
Molecular Formula | C11H16N4S | |
XLogP3-AA | 3.9 | |
H-Bond Donor | 1 | |
H-Bond Acceptor | 3 | |
Rotatable Bond Count | 1 | |
Tautomer Count | 3 | |
Exact Mass | 236.109568 | |
MonoIsotopic Mass | 236.109568 | |
Topological Polar Surface Area | 72.1 | |
Heavy Atom Count | 16 | |
Formal Charge | 0 | |
Complexity | 337 | |
Isotope Atom Count | 0 | |
Defined Atom Stereocenter Count | 0 | |
Undefined Atom Stereocenter Count | 0 | |
Defined Bond Stereocenter Count | 0 | |
Undefined Bond Stereocenter Count | 0 | |
Covalently-Bonded Unit Count | 1 | |
Feature 3D Acceptor Count | 1 | |
Feature 3D Ring Count | 5 | |
Effective Rotor Count | 2.2 | |
Conformer Sampling RMSD | 0.6 |
Molecular Weight | 236.33654 [g/mol] | |
Molecular Formula | C11H16N4S | |
XLogP3-AA | 3.9 | |
H-Bond Donor | 1 | |
H-Bond Acceptor | 3 | |
Rotatable Bond Count | 1 | |
Tautomer Count | 3 | |
Exact Mass | 236.109568 | |
MonoIsotopic Mass | 236.109568 | |
Topological Polar Surface Area | 72.1 | |
Heavy Atom Count | 16 | |
Formal Charge | 0 | |
Complexity | 337 | |
Isotope Atom Count | 0 | |
Defined Atom Stereocenter Count | 0 | |
Undefined Atom Stereocenter Count | 0 | |
Defined Bond Stereocenter Count | 0 | |
Undefined Bond Stereocenter Count | 0 | |
Covalently-Bonded Unit Count | 1 | |
Feature 3D Acceptor Count | 1 | |
Feature 3D Ring Count | 5 | |
Effective Rotor Count | 2.2 | |
Conformer Sampling RMSD | 0.6 |
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