SMILES:
CC(C)c1cccc(C(C)C)c1NC(=O)C1CCCC(CCCCCOc2ccccc2)(c2ccccc2)C1=OMolecular Processing
Molecular formula
C36H45NO3
Molecular weight
539.76
Exact mass
539.3399
XLogP
8.82
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
164.12
Supplementary Information
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