CCCCCCCCCCCNc1cc(C(=O)Oc2ccccc2)c(C(=O)Oc2ccccc2)c(C(=O)Oc2ccccc2)c1
Name: 5-undecylamino-1,2,3-benzenetricarboxylic acid triphenyl ester
SMILES: CCCCCCCCCCCNc1cc(C(=O)Oc2ccccc2)c(C(=O)Oc2ccccc2)c(C(=O)Oc2ccccc2)c1

Molecular Processing

Molecular formula
C38H41NO6
Molecular weight
607.75
Exact mass
607.2934
XLogP
9.29
TPSA
90.93
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
17
Heavy atoms
45
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.289
Molar refractivity
176.36

Supplementary Information

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