이름: 4-Nitro-3-{[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]amino}benzonitrile
SMILES:
N#Cc1ccc([N+](=O)[O-])c(NC2CCN(C3CCOCC3)CC2)c1Molecular Processing
Molecular formula
C17H22N4O3
Molecular weight
330.39
Exact mass
330.1692
XLogP
2.52
TPSA
91.43
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
89.87
Supplementary Information
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