이름: t-butyl N-[5-(3-hydroxyphenoxy)-2-nitrophenyl]-N-methylcarbamate
SMILES:
CN(C(=O)OC(C)(C)C)c1cc(Oc2cccc(O)c2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C18H20N2O6
Molecular weight
360.37
Exact mass
360.1321
XLogP
4.46
TPSA
102.14
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
95.91
Supplementary Information
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