Chemical ID: 5796134

Cc1cccc(c1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc(c3)Br
Chemical ID:
5796134
Name [?]:
[4-[[2-(3-methylphenoxy)acetyl]aminoiminomethyl]phenyl] 3-bromobenzoate
SMILES [?]:
Cc1cccc(c1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc(c3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H19BrN2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.8666
Area:680.156
Solvation:-6.13735
Coulombic:-46.7602
Bond Count [?]
All:32
Single:20
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:467.312
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.41
LogP (Chemaxon):5.5

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Experimental Annotations

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Descriptor Annotations

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