이름: 2-[(2-cyanoethyl)[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]amino]acetic acid
SMILES:
Cc1cc(N(CCC#N)CC(=O)O)nc(-n2ccnc2)n1Molecular Processing
Molecular formula
C13H14N6O2
Molecular weight
286.3
Exact mass
286.1178
XLogP
0.78
TPSA
107.93
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
73.97
Supplementary Information
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