SMILES:
Oc1ccc2c(Cl)cnnc2c1Molecular Processing
Molecular formula
C8H5ClN2O
Molecular weight
180.59
Exact mass
180.009
XLogP
1.99
TPSA
46.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
46.21
Supplementary Information
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