Chemical ID: 3953743

Cc1ccccc1NC(=O)c2cccc3c2nccn3
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

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Descriptor Annotations

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