Name: 5-(2,3-epoxy-propoxy)-3,4-dihydro-carbostyril
SMILES:
O=C1CCc2c(cccc2OCC2CO2)N1Molecular Processing
Molecular formula
C12H13NO3
Molecular weight
219.24
Exact mass
219.0895
XLogP
1.35
TPSA
50.86
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
58.63
Supplementary Information
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