CCCCCC=CC/C=C/CCCCCCCC(=O)Oc1ccc(-c2ccc(C=CC(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2
SMILES: CCCCCC=CC/C=C/CCCCCCCC(=O)Oc1ccc(-c2ccc(C=CC(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

Molecular Processing

Molecular formula
C43H56O4
Molecular weight
636.92
Exact mass
636.4179
XLogP
11.64
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
19
Heavy atoms
47
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.535
Molar refractivity
193.39

Supplementary Information

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