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Chemical ID: 6624248
Chemical ID:
6624248
Name [?]:
8,9-dibromo-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-3-one
SMILES [?]:
c1c2c(cc(c1Br)Br)OCC(=O)N2
InChi [?]:
InChI=1/C8H5Br2NO2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,10,6,5,2,3,11,7,8,13,12,9/rA:13nCCCCCCBrBrOCCON/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s9;s10;d11;s2s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H5Br2NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.38307 |
Area: | 347.142 |
Solvation: | -2.29548 |
Coulombic: | -28.5735 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 306.939 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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