Name: amine
SMILES:
NCCCCc1ccc(OCCO)cc1Molecular Processing
Molecular formula
C12H19NO2
Molecular weight
209.29
Exact mass
209.1416
XLogP
1.34
TPSA
55.48
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
61.02
Supplementary Information
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