N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3cc(Br)ccc3c2[nH]1
SMILES: N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3cc(Br)ccc3c2[nH]1

Molecular Processing

Molecular formula
C23H10BrClN4
Molecular weight
457.72
Exact mass
455.9777
XLogP
6.7
TPSA
76.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
29
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
118.68

Supplementary Information

詳細情報を取得中…

11 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→