SMILES:
COCC(C)NCc1ccc(Cl)nc1Molecular Processing
Molecular formula
C10H15ClN2O
Molecular weight
214.7
Exact mass
214.0873
XLogP
1.86
TPSA
34.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
57.42
Supplementary Information
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