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Chemical ID: 3953743
Chemical ID:
3953743
Name [?]:
N-(o-tolyl)quinoxaline-5-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)c2cccc3c2nccn3
InChi [?]:
InChI=1/C16H13N3O/c1-11-5-2-3-7-13(11)19-16(20)12-6-4-8-14-15(12)18-10-9-17-14/h2-10H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,13,3,12,6,14,19,18,2,11,7,15,16,9,20,17,8,10/rA:20nCCCCCCCNCOCCCCCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13N3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.90886 |
Area: | 441.842 |
Solvation: | -3.13721 |
Coulombic: | -31.5272 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 263.294 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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