الاسم: [1R,8S,9aR]-5,6-Dimethoxy-2,3,7,8,9,9a-hexahydro-8-phenyl-phenalene-1-carboxylic acid
SMILES:
COc1cc2c3c(c1OC)C[C@@H](c1ccccc1)C[C@@H]3[C@H](C(=O)O)CC2Molecular Processing
Molecular formula
C22H24O4
Molecular weight
352.43
Exact mass
352.1675
XLogP
4.16
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
99.24
Supplementary Information
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