이름: calanolide
SMILES:
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3OMolecular Processing
Molecular formula
C22H26O5
Molecular weight
370.45
Exact mass
370.178
XLogP
4.38
TPSA
68.9
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
104.43
Supplementary Information
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