SMILES:
Nc1c(OCC2CC2)c(Cl)cc2c1[nH]c1cnccc12Molecular Processing
Molecular formula
C15H14ClN3O
Molecular weight
287.75
Exact mass
287.0825
XLogP
3.74
TPSA
63.93
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
81.24
Supplementary Information
Details werden geladen…
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