Name: 3-cyano-1-cyclobutyl-6-cyclopropyl-1H-indol-2-ylboronic acid
SMILES:
N#Cc1c(B(O)O)n(C2CCC2)c2cc(C3CC3)ccc12Molecular Processing
Molecular formula
C16H17BN2O2
Molecular weight
280.14
Exact mass
280.1383
XLogP
1.8
TPSA
69.18
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
81.34
Supplementary Information
Details werden geladen…
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