CCC(CN1CC2CCC(C1)O2)N1C(=O)C(C)(CC(=O)O)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1
SMILES: CCC(CN1CC2CCC(C1)O2)N1C(=O)C(C)(CC(=O)O)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C30H36Cl2N2O4
Molecular weight
559.53
Exact mass
558.2052
XLogP
6.17
TPSA
70.08
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
148.62

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→