Chemical ID: 4566229

c1ccc2c(c1)c(=O)n-3c(n2)C(=O)c4c3cccc4
Chemical ID:
4566229
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)n-3c(n2)C(=O)c4c3cccc4
InChi [?]:
InChI=1/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
InChi Info:
AuxInfo=1/0/N:1,18,2,17,6,19,3,16,5,14,4,15,12,10,7,11,9,13,8/rA:19nCCCCCCCONCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;d12;s12;s9s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H8N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.06698
Area:404.359
Solvation:-2.042
Coulombic:-33.5761
Bond Count [?]
All:22
Single:13
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:248.236
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.95
LogP (Chemaxon):1.98

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