이름: 4-chloro-6-(1-bromoethyl)-5-iodopyrimidine
SMILES:
CC(Br)c1ncnc(Cl)c1IMolecular Processing
Molecular formula
C6H5BrClIN2
Molecular weight
347.38
Exact mass
345.8369
XLogP
3.19
TPSA
25.78
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
57.1
Supplementary Information
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