SMILES:
CCc1cnc(Cl)c(C(O)C2=CCCC2=O)c1Molecular Processing
Molecular formula
C13H14ClNO2
Molecular weight
251.71
Exact mass
251.0713
XLogP
2.62
TPSA
50.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
65.91
Supplementary Information
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