Chemical ID: 3895913

c1ccc(c(c1)NC(=O)c2ccc3c(c2)nccn3)Br
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue