이름: 6-[4-(2-oxo-2,3-dihydro-imidazo[4,5-b]pyridin-1-yl)-piperidin-1-yl]-pyrimidine-4-carboxylic acid
SMILES:
O=C(O)c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)ncn1Molecular Processing
Molecular formula
C16H16N6O3
Molecular weight
340.34
Exact mass
340.1284
XLogP
1.05
TPSA
117
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
89.83
Supplementary Information
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