SMILES:
CCCCCCc1ccc(-c2ncc(C#N)c(Cl)n2)cc1Molecular Processing
Molecular formula
C17H18ClN3
Molecular weight
299.81
Exact mass
299.1189
XLogP
4.79
TPSA
49.57
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
85.04
Supplementary Information
Details werden geladen…
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