SMILES:
COC(=O)c1ccnc(Cl)c1Molecular Processing
Molecular formula
C7H6ClNO2
Molecular weight
171.58
Exact mass
171.0087
XLogP
1.52
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
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
0.143
Molar refractivity
40.59
Supplementary Information
Obteniendo detalles…
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