SMILES:
COc1cnc2c(NCc3nnc4ccc(Cl)nn34)ccnc2c1Molecular Processing
Molecular formula
C15H12ClN7O
Molecular weight
341.76
Exact mass
341.0792
XLogP
2.34
TPSA
90.12
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
89.21
Supplementary Information
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