SMILES:
COc1ccc2c3c([nH]c2c1)C(C)(CN)OCC3Molecular Processing
Molecular formula
C14H18N2O2
Molecular weight
246.31
Exact mass
246.1368
XLogP
1.92
TPSA
60.27
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
70.91
Supplementary Information
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