이름: amine
SMILES:
CC1=CCC(C(C)CCN)CC1Molecular Processing
Molecular formula
C11H21N
Molecular weight
167.3
Exact mass
167.1674
XLogP
2.72
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
53.93
Supplementary Information
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