CCCCCCCCCCCCCNc1cc(C(=O)Oc2ccccc2)c(C(=O)Oc2ccccc2)c(C(=O)Oc2ccccc2)c1
Name: 5-tridecylamino-1,2,3-benzenetricarboxylic acid triphenyl ester
SMILES: CCCCCCCCCCCCCNc1cc(C(=O)Oc2ccccc2)c(C(=O)Oc2ccccc2)c(C(=O)Oc2ccccc2)c1

Molecular Processing

Molecular formula
C40H45NO6
Molecular weight
635.8
Exact mass
635.3247
XLogP
10.07
TPSA
90.93
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
19
Heavy atoms
47
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
0.325
Molar refractivity
185.59

Supplementary Information

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