Chemical ID: 7261623

COC(=O)c1ccccc1NC(=O)c2ccc3c(c2)nccn3
Chemical ID:
7261623
Name [?]:
methyl 2-quinoxalin-6-ylcarbonylaminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)c2ccc3c(c2)nccn3
InChi [?]:
InChI=1/C17H13N3O3/c1-23-17(22)12-4-2-3-5-13(12)20-16(21)11-6-7-14-15(10-11)19-9-8-18-14/h2-10H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,15,16,22,21,19,14,5,10,17,18,12,3,23,20,11,13,4,2/rA:23nCOCOCCCCCCNCOCCCCCCNCCN/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;s17;d14s18;d18;s20;d21;d17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O3
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.22694
Area:497.553
Solvation:-3.21188
Coulombic:-51.5807
Bond Count [?]
All:25
Single:15
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:307.304
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.78
LogP (Chemaxon):2.48

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Descriptor Annotations

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