Cc1c(N2CC[C@H](n3cccc3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
SMILES: Cc1c(N2CC[C@H](n3cccc3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

Molecular Processing

Molecular formula
C22H22FN3O3
Molecular weight
395.43
Exact mass
395.1645
XLogP
3.58
TPSA
66.95
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
107.6

Supplementary Information

詳細情報を取得中…

2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→