Name: cis-2-Aminocycloheptanecarboxylic acid methyl ester
SMILES:
COC(=O)[C@@H]1CCCCC[C@@H]1NMolecular Processing
Molecular formula
C9H17NO2
Molecular weight
171.24
Exact mass
171.1259
XLogP
1.07
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
46.57
Supplementary Information
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