SMILES:
N#Cc1ccc(Oc2ccc3c(c2)COB3O)c(OC2CCCC2)c1Molecular Processing
Molecular formula
C19H18BNO4
Molecular weight
335.17
Exact mass
335.1329
XLogP
2.89
TPSA
71.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
92.95
Supplementary Information
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