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Chemical ID: 4566229
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
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Experimental Annotations
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Descriptor Annotations
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