이름: 5-cyano-4-hydroxy-2-(4-n-propylphenyl)-pyrimidine
SMILES:
CCCc1ccc(-c2ncc(C#N)c(O)n2)cc1Molecular Processing
Molecular formula
C14H13N3O
Molecular weight
239.28
Exact mass
239.1059
XLogP
2.67
TPSA
69.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
67.84
Supplementary Information
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