이름: 2-(4-(4-chloropyrimidin-2-ylamino)-1H-pyrazol-1-yl)-N-isopropylacetamide
SMILES:
CC(C)NC(=O)Cn1cc(Nc2nccc(Cl)n2)cn1Molecular Processing
Molecular formula
C12H15ClN6O
Molecular weight
294.75
Exact mass
294.0996
XLogP
1.59
TPSA
84.73
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
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
0.333
Molar refractivity
75.83
Supplementary Information
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