SMILES:
C=CCc1cncc(OC[C@@H]2CCN2)c1.ClMolecular Processing
Molecular formula
C12H17ClN2O
Molecular weight
240.73
Exact mass
240.1029
XLogP
1.97
TPSA
34.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
67.29
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→