이름: methyl 6-(4-(2-aminoethyl)phenyl)-6-(3-pyridyl)hex-5-enoate
SMILES:
COC(=O)CCCC=C(c1ccc(CCN)cc1)c1cccnc1Molecular Processing
Molecular formula
C20H24N2O2
Molecular weight
324.42
Exact mass
324.1838
XLogP
3.36
TPSA
65.21
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
96.38
Supplementary Information
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