이름: ( 2 )
SMILES:
N#CCCCC1C(=O)NCCNCCNCCNC1=OMolecular Processing
Molecular formula
C13H23N5O2
Molecular weight
281.36
Exact mass
281.1852
XLogP
-1.28
TPSA
106.05
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
74.71
Supplementary Information
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