SMILES:
CC(C)(C)c1cc(N)no1Molecular Processing
Molecular formula
C7H12N2O
Molecular weight
140.19
Exact mass
140.095
XLogP
1.55
TPSA
52.05
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
39.62
Supplementary Information
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