이름: 1,1-dimethylethyl-4-(6-fluoro-2-methyl-5-quinolinyl)-1-piperazinecarboxylate
SMILES:
Cc1ccc2c(N3CCN(C(=O)[O-])C(C(C)(C)C)C3)c(F)ccc2n1Molecular Processing
Molecular formula
C19H23FN3O2-
Molecular weight
344.41
Exact mass
344.178
XLogP
2.56
TPSA
59.5
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
94
Supplementary Information
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