이름: 6-(2,4-dichlorophenyl)-8-ethyl-9H-purine
SMILES:
CCc1nc2c(-c3ccc(Cl)cc3Cl)ncnc2[nH]1Molecular Processing
Molecular formula
C13H10Cl2N4
Molecular weight
293.16
Exact mass
292.0283
XLogP
3.89
TPSA
54.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
76.52
Supplementary Information
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