SMILES:
N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4OCC3C2C2CCCC2)cc1ClMolecular Processing
Molecular formula
C23H20ClN3O3
Molecular weight
421.88
Exact mass
421.1193
XLogP
4.7
TPSA
85.92
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
113.32
Supplementary Information
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