名称: 1,2,3,4-tetrahydro-6,7-methylenedioxy-4-oxo-1-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxylic acid
SMILES:
COc1cc(C2c3cc4c(cc3C(=O)CC2C(=O)O)OCO4)cc(OC)c1OCMolecular Processing
Molecular formula
C21H20O8
Molecular weight
400.38
Exact mass
400.1158
XLogP
2.86
TPSA
100.52
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
100.58
Supplementary Information
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