B(C1=CC=C(C=C1)COC2=CC(=NC3=CC=CC=C32)CC)(O)O.Cl
CAS: 144095-45-4
名称: [4-[(2-ethylquinolin-4-yl)oxymethyl]phenyl]boronic acid;hydrochloride
SMILES: B(C1=CC=C(C=C1)COC2=CC(=NC3=CC=CC=C32)CC)(O)O.Cl

Molecular Processing

Molecular formula
C18H19BClNO3
Molecular weight
343.62
Exact mass
343.1147
XLogP
2.48
TPSA
62.58
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.167
Molar refractivity
98.97

Supplementary Information

InChIKey: VMZDIBSRABTXNN-UHFFFAOYSA-N
同義語
SCHEMBL9137327VMZDIBSRABTXNN-UHFFFAOYSA-N4-[(2-ethylquinolin-4-yloxy)methyl]phenylboronic acid hydrochloride144095-45-4
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