SMILES:
COc1cccc(C2(O)CCNCC2)c1Molecular Processing
Molecular formula
C12H17NO2
Molecular weight
207.27
Exact mass
207.1259
XLogP
1.27
TPSA
41.49
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
58.99
Supplementary Information
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