SMILES:
COc1cnc2c(NCc3nnc4ccc(-c5ccc(C(C)O)c(Cl)c5)nn34)ccnc2c1Molecular Processing
Molecular formula
C23H20ClN7O2
Molecular weight
461.91
Exact mass
461.1367
XLogP
4.06
TPSA
110.35
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
125.28
Supplementary Information
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