SMILES:
OCCC1(c2cccnc2)CCNC1Molecular Processing
Molecular formula
C11H16N2O
Molecular weight
192.26
Exact mass
192.1263
XLogP
0.7
TPSA
45.15
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
55.1
Supplementary Information
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