이름: trans-4-[2-(thiophen-2-ylsulfanyl)-ethylamino]-cyclohexanecarboxylic acid methyl ester
SMILES:
COC(=O)[C@H]1CC[C@H](NCCSc2cccs2)CC1Molecular Processing
Molecular formula
C14H21NO2S2
Molecular weight
299.46
Exact mass
299.1014
XLogP
3.16
TPSA
38.33
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
80.81
Supplementary Information
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