名称: (3-Dimethoxymethyl-4-nitro-phenyl)-morpholin-4-yl-phenyl-acetonitrile
SMILES:
COC(OC)c1cc(C(C#N)(c2ccccc2)N2CCOCC2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C21H23N3O5
Molecular weight
397.43
Exact mass
397.1638
XLogP
2.99
TPSA
97.86
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
105.08
Supplementary Information
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