이름: 6-hydroxy-2-(3-nitrophenyl)chroman-4-one
SMILES:
O=C1CC(c2cccc([N+](=O)[O-])c2)Oc2ccc(O)cc21Molecular Processing
Molecular formula
C15H11NO5
Molecular weight
285.25
Exact mass
285.0637
XLogP
3.01
TPSA
89.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
73.52
Supplementary Information
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