이름: benzo[1,3]dioxol-5-yl-(4-methoxy-phenyl)-methanone
SMILES:
COc1ccc(C(=O)c2ccc3c(c2)OCO3)cc1Molecular Processing
Molecular formula
C15H12O4
Molecular weight
256.26
Exact mass
256.0736
XLogP
2.65
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
68.99
Supplementary Information
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