Name: ethyl 1-(3-(cyclopropylmethoxy)-4-nitrophenyl)cyclopentanecarboxylate
SMILES:
CCOC(=O)C1(c2ccc([N+](=O)[O-])c(OCC3CC3)c2)CCCC1Molecular Processing
Molecular formula
C18H23NO5
Molecular weight
333.38
Exact mass
333.1576
XLogP
3.76
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
88.09
Supplementary Information
Details werden geladen…
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