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Chemical ID: 7640137
Chemical ID:
7640137
Name [?]:
None
SMILES [?]:
c1cc2cccc-3c2c(c1)-c4c3n[nH]c(=O)n4
InChi [?]:
InChI=1/C13H7N3O/c17-13-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)15-16-13/h1-6H,(H,14,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,6,3,9,7,8,11,12,15,17,13,14,16/rA:17nCCCCCCCCCCCCNNCON/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s7s11;d12;s13;s14;d15;d11s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7N3O |
All Atoms: | 24 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.73388 |
Area: | 369.873 |
Solvation: | -1.51294 |
Coulombic: | -30.2404 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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