SMILES:
C(=Cc1nc(COc2ccc(CCCCCCn3ccnc3)cc2)co1)c1ccccc1Molecular Processing
Molecular formula
C27H29N3O2
Molecular weight
427.55
Exact mass
427.226
XLogP
6.42
TPSA
53.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
127.05
Supplementary Information
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