이름: Compound 29
SMILES:
O=C(NCCCCCCN1CC(O)CC1CO)OCc1ccccc1Molecular Processing
Molecular formula
C19H30N2O4
Molecular weight
350.46
Exact mass
350.2206
XLogP
1.9
TPSA
82.03
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
96.17
Supplementary Information
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