이름: [5-(4-bromo-phenyl)-3-methyl-isoxazol-4-yl]-carbamic acid benzyl ester
SMILES:
Cc1noc(-c2ccc(Br)cc2)c1NC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C18H15BrN2O3
Molecular weight
387.23
Exact mass
386.0266
XLogP
5.16
TPSA
64.36
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
94.63
Supplementary Information
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