이름: 2-methoxy-9-carboxy-10,11-dihydrodibenzo[b,f]thiepin
SMILES:
COc1ccc2c(c1)CCc1c(cccc1C(=O)O)S2Molecular Processing
Molecular formula
C16H14O3S
Molecular weight
286.35
Exact mass
286.0664
XLogP
3.64
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
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
0.188
Molar refractivity
77.93
Supplementary Information
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