이름: 2-nitro-4-(1-methylpiperidin-4-ylmethoxy)-5-methoxybenzonitrile
SMILES:
COc1cc(C#N)c([N+](=O)[O-])cc1OCC1CCN(C)CC1Molecular Processing
Molecular formula
C15H19N3O4
Molecular weight
305.33
Exact mass
305.1376
XLogP
2.2
TPSA
88.63
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
80.08
Supplementary Information
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