이름: 4,4-dimethyl-2-[3-(4-methyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid
SMILES:
CN1CCN(c2cccc(C3CC(C)(C)c4cccc(C(=O)O)c4N3)c2)CC1Molecular Processing
Molecular formula
C23H29N3O2
Molecular weight
379.5
Exact mass
379.226
XLogP
3.97
TPSA
55.81
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
113.56
Supplementary Information
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