名称: 2-amino-4-methylsulfanyl-N-(3-phenylpropyl)butanamide
SMILES:
CSCCC(C(=O)NCCCC1=CC=CC=C1)NMolecular Processing
Molecular formula
C14H22N2OS
Molecular weight
266.41
Exact mass
266.1453
XLogP
1.82
TPSA
55.12
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
78.75
Supplementary Information
InChIKey: DGHXBVZKWIFMEL-UHFFFAOYSA-N
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