Name: Ethyl α-nitro-5H-dibenzo[a,d]cycloheptene-5-acetate
SMILES:
CCOC(=O)C(C1c2ccccc2C=Cc2ccccc21)[N+](=O)[O-]Molecular Processing
Molecular formula
C19H17NO4
Molecular weight
323.35
Exact mass
323.1158
XLogP
3.51
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
91.07
Supplementary Information
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