名称: dicumarol
SMILES:
O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=OMolecular Processing
Molecular formula
C19H12O6
Molecular weight
336.3
Exact mass
336.0634
XLogP
2.9
TPSA
100.88
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
91.1
Supplementary Information
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