Name: (S)-2-[(Azepane-1-carbonyl)-amino]-3-methyl-butyric acid
SMILES:
CC(C)[C@H](NC(=O)N1CCCCCC1)C(=O)OMolecular Processing
Molecular formula
C12H22N2O3
Molecular weight
242.32
Exact mass
242.163
XLogP
1.68
TPSA
69.64
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
64.83
Supplementary Information
Details werden geladen…
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