Name: 4-chloro-5-iodo-7-(1-phenyl-1H-benzoimidazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILES:
Clc1ncnc2c1c(I)cn2Cc1nc2ccccc2n1-c1ccccc1Molecular Processing
Molecular formula
C20H13ClIN5
Molecular weight
485.72
Exact mass
484.9904
XLogP
5.08
TPSA
48.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
115.43
Supplementary Information
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