الاسم: 4-(5-octyl-pyrimidin-2-yl)-benzoic acid
SMILES:
CCCCCCCCc1cnc(-c2ccc(C(=O)O)cc2)nc1Molecular Processing
Molecular formula
C19H24N2O2
Molecular weight
312.41
Exact mass
312.1838
XLogP
4.74
TPSA
63.08
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
23
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
0.421
Molar refractivity
91.51
Supplementary Information
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