名称: 2-(isoquinolin-5-ylamino)-2-methylpropionitrile
SMILES:
CC(C)(C#N)Nc1cccc2cnccc12Molecular Processing
Molecular formula
C13H13N3
Molecular weight
211.27
Exact mass
211.1109
XLogP
2.95
TPSA
48.71
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
65.06
Supplementary Information
詳細情報を取得中…
5 件の反応に参加→