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Chemical ID: 6474584
Chemical ID:
6474584
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)n2c3nc4ccccc4n3c(n2)C(=O)C
InChi [?]:
InChI=1/C17H14N4O/c1-11-6-5-7-13(10-11)21-17-18-14-8-3-4-9-15(14)20(17)16(19-21)12(2)22/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,13,14,4,3,5,12,15,7,2,20,6,11,16,18,9,10,19,17,8,21/rA:22nCCCCCCCNCNCCCCCCNCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s17;s8d18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N4O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94271 |
Area: | 474.973 |
Solvation: | -1.93162 |
Coulombic: | -29.9759 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 290.319 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.84 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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