COC(=O)c1ccc(C)nc1Cl
SMILES: COC(=O)c1ccc(C)nc1Cl

Molecular Processing

Molecular formula
C8H8ClNO2
Molecular weight
185.61
Exact mass
185.0244
XLogP
1.83
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
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
0.25
Molar refractivity
45.32

Supplementary Information

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