SMILES:
CC1CCc2c(O)ccc3c(=O)c(C(=O)O)cn1c23Molecular Processing
Molecular formula
C14H13NO4
Molecular weight
259.26
Exact mass
259.0845
XLogP
1.91
TPSA
79.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
69.86
Supplementary Information
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