SMILES:
CC1(CNc2ncccc2Cl)COC1Molecular Processing
Molecular formula
C10H13ClN2O
Molecular weight
212.68
Exact mass
212.0716
XLogP
2.18
TPSA
34.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
56.66
Supplementary Information
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