이름: SMCC caproate
SMILES:
CCCCCC(=O)[O-].O=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)C=CC2=O)CC1Molecular Processing
Molecular formula
C22H29N2O8-
Molecular weight
449.48
Exact mass
449.1929
XLogP
0.64
TPSA
141.19
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.636
Molar refractivity
107.64
Supplementary Information
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