Name: compound
SMILES:
CCCN(CCC)CCCCNC(=O)Nc1ccc(CNCc2ncc[nH]2)cc1Molecular Processing
Molecular formula
C22H36N6O
Molecular weight
400.57
Exact mass
400.2951
XLogP
3.72
TPSA
85.08
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
14
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
118.85
Supplementary Information
Details werden geladen…
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