C=C(C)C(=O)OCCCCC#Cc1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)N(c1c(C(C)C)cccc1C(C)C)C4=O
SMILES: C=C(C)C(=O)OCCCCC#Cc1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)N(c1c(C(C)C)cccc1C(C)C)C4=O

Molecular Processing

Molecular formula
C44H39NO4
Molecular weight
645.8
Exact mass
645.2879
XLogP
10.43
TPSA
63.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
49
Rings
7
Aromatic rings
6
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
199.91

Supplementary Information

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