SMILES:
N#CC1=CC(=C2OCCO2)c2ccccc21Molecular Processing
Molecular formula
C13H9NO2
Molecular weight
211.22
Exact mass
211.0633
XLogP
2.32
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
58.86
Supplementary Information
상세 정보 불러오는 중…
3개 반응에 참여→