이름: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1-amine
SMILES:
CC1(C)OB(c2cnc(N)c3ccccc23)OC1(C)CMolecular Processing
Molecular formula
C15H19BN2O2
Molecular weight
270.14
Exact mass
270.154
XLogP
2.12
TPSA
57.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
81.87
Supplementary Information
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