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Chemical ID: 7658416
Chemical ID:
7658416
Name [?]:
None
SMILES [?]:
Cc1c(cn(n1)C)c2cc(c3ccccc3n2)C(=O)O
InChi [?]:
InChI=1/C15H13N3O2/c1-9-12(8-18(2)17-9)14-7-11(15(19)20)10-5-3-4-6-13(10)16-14/h3-8H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,7,13,14,12,15,9,4,2,11,10,3,16,8,18,17,6,5,19,20/E:(19,20)/rA:20nCCCCNNCCCCCCCCCCNCOO/rB:s1;s2;d3;s4;d2s5;s5;s3;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N3O2 |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.19978 |
Area: | 444.013 |
Solvation: | -2.90056 |
Coulombic: | -36.6367 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.41 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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