Name: alcohol
SMILES:
COc1cccc(C2=C(CO)C(=O)N(C)CC2)c1Molecular Processing
Molecular formula
C14H17NO3
Molecular weight
247.29
Exact mass
247.1208
XLogP
1.3
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
69.25
Supplementary Information
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