Name: Compound 42
SMILES:
COC(=O)c1[nH]c2cccc3c2c1CCNC3=OMolecular Processing
Molecular formula
C13H12N2O3
Molecular weight
244.25
Exact mass
244.0848
XLogP
1.24
TPSA
71.19
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
65.68
Supplementary Information
Details werden geladen…
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