Name: 3-[4-(2-chloro-5-methoxypyrimidin-4-yl)-1H-pyrazol-1-yl]-3-cyclopropylpropanenitrile
SMILES:
COc1cnc(Cl)nc1-c1cnn(C(CC#N)C2CC2)c1Molecular Processing
Molecular formula
C14H14ClN5O
Molecular weight
303.75
Exact mass
303.0887
XLogP
2.87
TPSA
76.62
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
76.81
Supplementary Information
Details werden geladen…
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