이름: iminoctadine triacetate
SMILES:
CC(=O)O.CC(=O)O.CC(=O)O.NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)NMolecular Processing
Molecular formula
C24H53N7O6
Molecular weight
535.73
Exact mass
535.4057
XLogP
2.08
TPSA
252.73
H-bond donors
8
H-bond acceptors
6
Rotatable bonds
18
Heavy atoms
37
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
4
Fraction Csp3
0.792
Molar refractivity
149.56
Supplementary Information
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