CCOCC1=NC2=CN=C3C=C(C=CC3=C2N1CCCCCl)Br
이름: 7-bromo-1-(4-chlorobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinoline
SMILES: CCOCC1=NC2=CN=C3C=C(C=CC3=C2N1CCCCCl)Br

Molecular Processing

Molecular formula
C17H19BrClN3O
Molecular weight
396.72
Exact mass
395.04
XLogP
4.9
TPSA
39.94
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
98.02

Supplementary Information

InChIKey: QEUGQVLLKQMJDE-UHFFFAOYSA-N
동의어
SCHEMBL3867066QEUGQVLLKQMJDE-UHFFFAOYSA-N7-bromo-1-(4-chlorobutyl)-2-ethoxymethyl-1H-imidazo[4,5-c]quinoline
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