SMILES:
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn(C(C)(C)c3ccccc3)n2)cc1Molecular Processing
Molecular formula
C31H33ClN6O
Molecular weight
541.1
Exact mass
540.2404
XLogP
6.52
TPSA
81.65
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
39
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
154.43
Supplementary Information
Details werden geladen…
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