이름: compound
SMILES:
COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1Molecular Processing
Molecular formula
C15H13NO6
Molecular weight
303.27
Exact mass
303.0743
XLogP
3.18
TPSA
87.9
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
77.5
Supplementary Information
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