COC(=O)c1cc(C2CC2)ccc1N
SMILES: COC(=O)c1cc(C2CC2)ccc1N

Molecular Processing

Molecular formula
C11H13NO2
Molecular weight
191.23
Exact mass
191.0946
XLogP
1.93
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
54.17

Supplementary Information

Details werden geladen…

An 8 Reaktionen beteiligt