SMILES:
N#CC1(c2cccc(C(=O)O)c2Cl)CC1Molecular Processing
Molecular formula
C11H8ClNO2
Molecular weight
221.64
Exact mass
221.0244
XLogP
2.59
TPSA
61.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
54.94
Supplementary Information
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