COc1c(C(C)Cl)cc(Cl)c(F)c1C1CN(C(=O)OC(C)(C)C)C1
이름: tert-butyl 3-[3-chloro-5-(1-chloroethyl)-2-fluoro-6-methoxyphenyl]azetidine-1-carboxylate
SMILES: COc1c(C(C)Cl)cc(Cl)c(F)c1C1CN(C(=O)OC(C)(C)C)C1

Molecular Processing

Molecular formula
C17H22Cl2FNO3
Molecular weight
378.27
Exact mass
377.0961
XLogP
5.12
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
92.78

Supplementary Information

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