이름: 4,4-dimethyl-2-(3-pyrrolidin-1-yl-phenyl)-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid
SMILES:
CC1(C)CC(c2cccc(N3CCCC3)c2)Nc2ccc(C(=O)O)cc21Molecular Processing
Molecular formula
C22H26N2O2
Molecular weight
350.46
Exact mass
350.1994
XLogP
4.82
TPSA
52.57
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
105.3
Supplementary Information
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