Name: amine
SMILES:
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1.ClMolecular Processing
Molecular formula
C19H29ClN2O4
Molecular weight
384.9
Exact mass
384.1816
XLogP
1.71
TPSA
76.66
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.579
Molar refractivity
102.33
Supplementary Information
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