SMILES:
O=C1C(=Cc2cccnc2)N2CCC1CC2Molecular Processing
Molecular formula
C13H14N2O
Molecular weight
214.27
Exact mass
214.1106
XLogP
1.72
TPSA
33.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
61.52
Supplementary Information
No supplementary data available
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