이름: octadecyl 4-nitrobenzoate
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C25H41NO4
Molecular weight
419.61
Exact mass
419.3036
XLogP
8.01
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
19
Heavy atoms
30
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.72
Molar refractivity
122.92
Supplementary Information
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