Cc1cc(Oc2cc(Cl)c(Br)cc2Cl)c(C(=O)N2CCN(C3CC3)c3ccccc32)cn1
SMILES: Cc1cc(Oc2cc(Cl)c(Br)cc2Cl)c(C(=O)N2CCN(C3CC3)c3ccccc32)cn1

Molecular Processing

Molecular formula
C24H20BrCl2N3O2
Molecular weight
533.25
Exact mass
531.0116
XLogP
6.88
TPSA
45.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
131.7

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→