이름: (1R,2S,3R,5R,6R)-2-amino-2-cyano-3-[(3,4-dichloro benzyl)oxy]-6-fluoro bicyclo[3.1.0]hexane-6-carboxamide citrate
SMILES:
N#C[C@@]1(N)[C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(N)=O.O=C(O)CC(O)(CC(=O)O)C(=O)OMolecular Processing
Molecular formula
C21H22Cl2FN3O9
Molecular weight
550.32
Exact mass
549.0717
XLogP
0.69
TPSA
234.26
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
36
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
2
Fraction Csp3
0.476
Molar refractivity
119.29
Supplementary Information
상세 정보 불러오는 중…
1개 반응에 참여→