SMILES:
CC(=O)NCCc1cnn2ccc3c(c12)CCO3Molecular Processing
Molecular formula
C13H15N3O2
Molecular weight
245.28
Exact mass
245.1164
XLogP
0.95
TPSA
55.63
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
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
0.385
Molar refractivity
66.78
Supplementary Information
Details werden geladen…
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