Name: 2-nitrophenanthrene
SMILES:
O=[N+]([O-])c1ccc2c(ccc3ccccc32)c1Molecular Processing
Molecular formula
C14H9NO2
Molecular weight
223.23
Exact mass
223.0633
XLogP
3.9
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
68.11
Supplementary Information
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