SMILES:
CC1c2cc(Cl)c(OCc3ccc(F)cc3)cc2C2CNCC12.CCNC(=O)[O-]Molecular Processing
Molecular formula
C22H25ClFN2O3-
Molecular weight
419.9
Exact mass
419.1543
XLogP
3.42
TPSA
73.42
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
-1
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.409
Molar refractivity
108.77
Supplementary Information
詳細情報を取得中…
3 件の反応に参加→