CO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(=O)NCCc1ccccc1.Cl
名称: #24
SMILES: CO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(=O)NCCc1ccccc1.Cl

Molecular Processing

Molecular formula
C17H27ClN2O2
Molecular weight
326.87
Exact mass
326.1761
XLogP
2.17
TPSA
50.36
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.588
Molar refractivity
91.39

Supplementary Information

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