SMILES:
O=C1CCC(Nc2ccc3[nH]ncc3c2)CC1Molecular Processing
Molecular formula
C13H15N3O
Molecular weight
229.28
Exact mass
229.1215
XLogP
2.49
TPSA
57.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
66.98
Supplementary Information
Details werden geladen…
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