CCCCN(CCCC)p1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1
SMILES: CCCCN(CCCC)p1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1

Molecular Processing

Molecular formula
C36H58NO2P
Molecular weight
567.84
Exact mass
567.4205
XLogP
12.02
TPSA
29.52
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
40
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
178.89

Supplementary Information

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