이름: 1-(5-(1-aminoethyl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-6-yl)azetidin-3-ol
SMILES:
CC(N)c1nc2ccn(C)c2cc1N1CC(O)C1Molecular Processing
Molecular formula
C13H18N4O
Molecular weight
246.31
Exact mass
246.1481
XLogP
0.77
TPSA
67.31
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
71.54
Supplementary Information
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