SMILES:
c1cc2[nH]ncc2cc1OC1CCNC1Molecular Processing
Molecular formula
C11H13N3O
Molecular weight
203.24
Exact mass
203.1059
XLogP
1.3
TPSA
49.94
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
58
Supplementary Information
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