名称: (5-{[(cyclopropylmethyl)amino]methyl}-2-thienyl)boronic acid
SMILES:
OB(O)c1ccc(CNCC2CC2)s1Molecular Processing
Molecular formula
C9H14BNO2S
Molecular weight
211.09
Exact mass
211.0838
XLogP
-0.07
TPSA
52.49
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
58.58
Supplementary Information
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