Chemical ID: 7669456

c1cc(ccc1OCn2ccc(n2)C(=O)O)Br
Chemical ID:
7669456
Name [?]:
None
SMILES [?]:
c1cc(ccc1OCn2ccc(n2)C(=O)O)Br
InChi [?]:
InChI=1/C11H9BrN2O3/c12-8-1-3-9(4-2-8)17-7-14-6-5-10(13-14)11(15)16/h1-6H,7H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,11,10,8,3,6,12,14,17,13,9,15,16,7/E:(1,2)(3,4)(15,16)/rA:17nCCCCCCOCNCCCNCOOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;s9d12;s12;d14;s14;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9BrN2O3
All Atoms:26
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:7.77327
Area:435.633
Solvation:-3.11756
Coulombic:-41.1521
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.79
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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