SMILES:
COC(=O)CCN(CCCCN1CCCCC1)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1Molecular Processing
Molecular formula
C30H45N7O2
Molecular weight
535.74
Exact mass
535.3635
XLogP
3.98
TPSA
82.52
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
16
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.567
Molar refractivity
152.62
Supplementary Information
Details werden geladen…
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