Name: 4-chloro-5-cyano-2-(4-n-propylphenyl)-pyrimidine
SMILES:
CCCc1ccc(-c2ncc(C#N)c(Cl)n2)cc1Molecular Processing
Molecular formula
C14H12ClN3
Molecular weight
257.72
Exact mass
257.072
XLogP
3.62
TPSA
49.57
H-bond donors
0
H-bond acceptors
3
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
71.19
Supplementary Information
Details werden geladen…
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