O=C(NC1CCCC1O)NC(Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1
SMILES: O=C(NC1CCCC1O)NC(Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1

Molecular Processing

Molecular formula
C27H25ClF5N3O3
Molecular weight
569.96
Exact mass
569.1505
XLogP
5.81
TPSA
83.48
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
133.47

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→