SMILES:
CC1(C)Oc2ccc(CC#N)cc2O1Molecular Processing
Molecular formula
C11H11NO2
Molecular weight
189.21
Exact mass
189.079
XLogP
2.26
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
51.09
Supplementary Information
상세 정보 불러오는 중…
20개 반응에 참여→