이름: 4-cyano-5-methyl-4-(5-cyano-2-thienyl)hexyl iodide
SMILES:
CC(C)C(C#N)(CCCI)c1ccc(C#N)s1Molecular Processing
Molecular formula
C13H15IN2S
Molecular weight
358.25
Exact mass
358.0001
XLogP
4.25
TPSA
47.58
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
79.28
Supplementary Information
상세 정보 불러오는 중…
8개 반응에 참여→