이름: Intermediate 23
SMILES:
Cc1ccc(C(=O)Nc2nncs2)cc1B1OC(C)(C)C(C)(C)O1Molecular Processing
Molecular formula
C16H20BN3O3S
Molecular weight
345.23
Exact mass
345.1318
XLogP
2.4
TPSA
73.34
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
94.76
Supplementary Information
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