이름: 2-[(1-Carbamoyl-1,2-dimethylpropyl)carbamoyl]-5-(1,3-dioxolan-2-yl)nicotinic acid
SMILES:
CC(C)C(C)(NC(=O)c1ncc(C2OCCO2)cc1C(=O)O)C(N)=OMolecular Processing
Molecular formula
C16H21N3O6
Molecular weight
351.36
Exact mass
351.143
XLogP
0.46
TPSA
140.84
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
85.74
Supplementary Information
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