이름: hydrochloride
SMILES:
COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.ClMolecular Processing
Molecular formula
C19H23ClFN3O4
Molecular weight
411.86
Exact mass
411.1361
XLogP
2.4
TPSA
83.8
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.474
Molar refractivity
106.87
Supplementary Information
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