SMILES:
COc1ccc(Cl)c(-c2cc3nnc(Nc4ccc(OCCN5CCCC5)cc4)nc3cc2C)c1Molecular Processing
Molecular formula
C27H28ClN5O2
Molecular weight
490.01
Exact mass
489.1932
XLogP
5.88
TPSA
72.4
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
139.96
Supplementary Information
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