SMILES:
COC(=O)c1cncc(C=O)c1Molecular Processing
Molecular formula
C8H7NO3
Molecular weight
165.15
Exact mass
165.0426
XLogP
0.68
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
40.96
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→