이름: ethyl 2-((3S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)-1-(nitromethyl)cyclohexyl)ethanoate
SMILES:
CCOC(=O)CC1(C[N+](=O)[O-])CCC[C@H](Nc2nc(Cl)ncc2F)C1Molecular Processing
Molecular formula
C15H20ClFN4O4
Molecular weight
374.8
Exact mass
374.1157
XLogP
2.84
TPSA
107.25
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
88.42
Supplementary Information
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