이름: 5-amino-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile
SMILES:
N#Cc1cc(N)ccc1OC1CCOCC1Molecular Processing
Molecular formula
C12H14N2O2
Molecular weight
218.26
Exact mass
218.1055
XLogP
1.7
TPSA
68.27
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
60.04
Supplementary Information
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