Name: 4-Decylphenylnitromethane
SMILES:
CCCCCCCCCCc1ccc(C[N+](=O)[O-])cc1Molecular Processing
Molecular formula
C17H27NO2
Molecular weight
277.41
Exact mass
277.2042
XLogP
5.15
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
11
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
83.45
Supplementary Information
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