Chemical ID: 4535044

c1ccc(c(c1)C(=O)Oc2ccc(cc2C=NNC(=O)C3COc4ccccc4O3)Br)Cl
Chemical ID:
4535044
Name [?]:
[4-bromo-2-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-8-ylcarbonylaminoiminomethyl)phenyl] 2-chlorobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)Oc2ccc(cc2C=NNC(=O)C3COc4ccccc4O3)Br)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H16BrClN2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.0912
Area:662.813
Solvation:-5.47915
Coulombic:-57.2054
Bond Count [?]
All:35
Single:23
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:515.74
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:6.41
LogP (Chemaxon):5.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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