이름: 4-(tert-butoxycarbonylamino)-2-(4-chlorophenyl)-4-methylpentanoic acid
SMILES:
CC(C)(CC(C(=O)O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C17H24ClNO4
Molecular weight
341.84
Exact mass
341.1394
XLogP
4.2
TPSA
75.63
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
89.89
Supplementary Information
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