名称: 2,4-diamino-N-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)benzenesulfonamide
SMILES:
Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)B(O)OC3)c(N)c1Molecular Processing
Molecular formula
C13H14BN3O4S
Molecular weight
319.15
Exact mass
319.0798
XLogP
-0.13
TPSA
127.67
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
84.91
Supplementary Information
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