SMILES:
Cc1cc(C(=O)Cl)n(C(C)(C)C)n1Molecular Processing
Molecular formula
C9H13ClN2O
Molecular weight
200.67
Exact mass
200.0716
XLogP
2.33
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
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
0.556
Molar refractivity
52.14
Supplementary Information
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