Name: 1-(hydroxymethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile
SMILES:
N#Cc1cccc2c1CCOC2COMolecular Processing
Molecular formula
C11H11NO2
Molecular weight
189.21
Exact mass
189.079
XLogP
1.16
TPSA
53.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
50.64
Supplementary Information
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