名称: NHS-biotin
SMILES:
O=C1NC2CSC(CCCCC(=O)ON3C(=O)CCC3=O)C2N1Molecular Processing
Molecular formula
C14H19N3O5S
Molecular weight
341.39
Exact mass
341.1045
XLogP
0.32
TPSA
104.81
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
81.14
Supplementary Information
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