C1=CC=C2C(=C1)C=CC(=N2)CCC3=CC=C(C=C3)C(=O)O
名称: 4-(2-quinolin-2-ylethyl)benzoic acid
SMILES: C1=CC=C2C(=C1)C=CC(=N2)CCC3=CC=C(C=C3)C(=O)O

Molecular Processing

Molecular formula
C18H15NO2
Molecular weight
277.32
Exact mass
277.1103
XLogP
3.72
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
82.55

Supplementary Information

InChIKey: OEUMENFPZKLKAS-UHFFFAOYSA-N
同義語
SCHEMBL3271805OEUMENFPZKLKAS-UHFFFAOYSA-N4-(2-Quinolin-2-yl-ethyl)-benzoic acid
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