이름: ester
SMILES:
CCCN(CCC)C(=O)c1cc(C(=O)OC)cc(-c2ncc[nH]2)c1Molecular Processing
Molecular formula
C18H23N3O3
Molecular weight
329.4
Exact mass
329.1739
XLogP
3.13
TPSA
75.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
91.85
Supplementary Information
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