SMILES:
COc1cccc2c1C1CCNCC1C2Molecular Processing
Molecular formula
C13H17NO
Molecular weight
203.28
Exact mass
203.131
XLogP
1.94
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
60.42
Supplementary Information
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