الاسم: phenol
SMILES:
CC(=O)c1ccc(-c2ccc(O)cc2)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C14H11NO4
Molecular weight
257.24
Exact mass
257.0688
XLogP
3.17
TPSA
80.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
70.2
Supplementary Information
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