이름: 6
SMILES:
COc1cc(O)cc(OC)c1C[C@@H]1O[C@@]1(C)CCC=C(C)CMolecular Processing
Molecular formula
C18H26O4
Molecular weight
306.4
Exact mass
306.1831
XLogP
3.86
TPSA
51.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
86.86
Supplementary Information
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