이름: trans-N-octyl-2-(4-nitrophenyl)cyclopropanecarboxamide
SMILES:
CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C18H26N2O3
Molecular weight
318.42
Exact mass
318.1943
XLogP
4.18
TPSA
72.24
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
90.33
Supplementary Information
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