이름: 4-[3-(3,7-diazabicyclo[3.3.1]non-3-yl)-2-hydroxypropoxy]benzonitrile
SMILES:
N#Cc1ccc(OCC(O)CN2CC3CNCC(C3)C2)cc1Molecular Processing
Molecular formula
C17H23N3O2
Molecular weight
301.39
Exact mass
301.179
XLogP
0.84
TPSA
68.52
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
83.57
Supplementary Information
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