CC1CC2=C(C1=O)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3
이름: 2-methyl-6-(quinolin-2-ylmethoxy)-2,3-dihydroinden-1-one
SMILES: CC1CC2=C(C1=O)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

Molecular Processing

Molecular formula
C20H17NO2
Molecular weight
303.36
Exact mass
303.1259
XLogP
4.19
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
89.72

Supplementary Information

InChIKey: JXWUKAIJGFOTKP-UHFFFAOYSA-N
동의어
SCHEMBL9139894JXWUKAIJGFOTKP-UHFFFAOYSA-N6-(2-Quinolinylmethoxy)-2-methyl-1-indanone
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