이름: 2F
SMILES:
N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c2c1CCCC2Molecular Processing
Molecular formula
C17H17N3O3
Molecular weight
311.34
Exact mass
311.127
XLogP
1.34
TPSA
84.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
81.8
Supplementary Information
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