SMILES:
CCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1Molecular Processing
Molecular formula
C22H31NO
Molecular weight
325.5
Exact mass
325.2406
XLogP
5.83
TPSA
33.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
102.39
Supplementary Information
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