이름: compound
SMILES:
COc1ccc(Cn2ccnc2)cc1Molecular Processing
Molecular formula
C11H12N2O
Molecular weight
188.23
Exact mass
188.095
XLogP
1.94
TPSA
27.05
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
54.32
Supplementary Information
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