이름: 2-nitro-4-(1-piperidin-4-ylmethoxy)5-methoxybenzonitrile
SMILES:
COc1cc(C#N)c([N+](=O)[O-])cc1OCC1CCNCC1Molecular Processing
Molecular formula
C14H17N3O4
Molecular weight
291.31
Exact mass
291.1219
XLogP
1.85
TPSA
97.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
21
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
0.5
Molar refractivity
75.45
Supplementary Information
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