SMILES:
CC1(C)CN=C(c2ccc3c(c2)OCO3)C1Molecular Processing
Molecular formula
C13H15NO2
Molecular weight
217.27
Exact mass
217.1103
XLogP
2.63
TPSA
30.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
62.37
Supplementary Information
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