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Chemical ID: 6424222
Chemical ID:
6424222
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3ccnc4c3n2c(=O)cc4
InChi [?]:
InChI=1/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,16,8,9,5,7,11,4,14,12,10,13,15/rA:17nCCCCCCCCCNCCNCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;d14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.10366 |
Area: | 366.584 |
Solvation: | -2.06094 |
Coulombic: | -21.8297 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 220.226 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.71 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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