SMILES:
OCCc1ccc2c(n1)NCCO2Molecular Processing
Molecular formula
C9H12N2O2
Molecular weight
180.21
Exact mass
180.0899
XLogP
0.42
TPSA
54.38
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
49.01
Supplementary Information
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