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Chemical ID: 3895913
Chemical ID:
3895913
Name [?]:
N-(2-bromophenyl)quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc3c(c2)nccn3)Br
InChi [?]:
InChI=1/C15H10BrN3O/c16-11-3-1-2-4-12(11)19-15(20)10-5-6-13-14(9-10)18-8-7-17-13/h1-9H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,12,18,17,15,10,4,5,13,14,8,20,19,16,7,9/rA:20nCCCCCCNCOCCCCCCNCCNBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;s13;d10s14;d14;s16;d17;d13s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10BrN3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93949 |
Area: | 458.264 |
Solvation: | -2.51712 |
Coulombic: | -32.2934 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 328.164 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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