SMILES:
Cn1ccnc1CN(Cc1ccc(C(=O)Nc2ccc(CNC3CCCCC3)cc2)cc1)Cc1ncc[nH]1Molecular Processing
Molecular formula
C30H37N7O
Molecular weight
511.67
Exact mass
511.306
XLogP
5.02
TPSA
90.87
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
38
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
0.367
Molar refractivity
149.3
Supplementary Information
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