COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1CCCC(CC(=O)O)c2cc(Cl)ccc21
SMILES: COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1CCCC(CC(=O)O)c2cc(Cl)ccc21

Molecular Processing

Molecular formula
C27H24Cl2N2O5
Molecular weight
527.4
Exact mass
526.1062
XLogP
6.25
TPSA
95.94
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
139.76

Supplementary Information

詳細情報を取得中…

3 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→