SMILES:
CC(O)Cc1cc(N)ccn1Molecular Processing
Molecular formula
C8H12N2O
Molecular weight
152.2
Exact mass
152.095
XLogP
0.59
TPSA
59.14
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
44.03
Supplementary Information
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