CC(C)Cn1c(N)cc(=O)n(C)c1=S
名称: amine
SMILES: CC(C)Cn1c(N)cc(=O)n(C)c1=S

Molecular Processing

Molecular formula
C9H15N3OS
Molecular weight
213.31
Exact mass
213.0936
XLogP
1.15
TPSA
52.95
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
59.76

Supplementary Information

詳細情報を取得中…

5 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→