이름: 1-(1-methyl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl)ethanamine
SMILES:
CC(N)c1nc2ccn(C)c2cc1N1CC2(COC2)C1Molecular Processing
Molecular formula
C15H20N4O
Molecular weight
272.35
Exact mass
272.1637
XLogP
1.43
TPSA
56.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
78.78
Supplementary Information
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