Name: product
SMILES:
COc1ccc(C(C#N)(CCCCCBr)Sc2ccccn2)cc1OCMolecular Processing
Molecular formula
C20H23BrN2O2S
Molecular weight
435.39
Exact mass
434.0664
XLogP
5.57
TPSA
55.14
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
109.19
Supplementary Information
Details werden geladen…
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