SMILES:
COc1cc(Cl)ccc1Cc1cccnc1Molecular Processing
Molecular formula
C13H12ClNO
Molecular weight
233.7
Exact mass
233.0607
XLogP
3.33
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
65.05
Supplementary Information
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