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Chemical ID: 7678687
Chemical ID:
7678687
Name [?]:
None
SMILES [?]:
CC(=O)Nc1cccc(c1)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl
InChi [?]:
InChI=1/C20H16ClN7O3/c1-12(29)23-14-5-3-6-15(9-14)24-17(30)10-27-11-22-19-18(20(27)31)25-26-28(19)16-7-2-4-13(21)8-16/h2-9,11H,10H2,1H3,(H,23,29)(H,24,30)
InChi Info:
AuxInfo=1/1/N:1,27,7,28,6,8,26,30,10,14,16,2,29,5,9,25,12,19,18,20,31,17,4,11,22,23,15,24,3,13,21/rA:31nCCONCCCCCCNCOCNCNCCCONNNCCCCCCCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;s15;d16;s17;d18;s15s19;d20;s19;d22;s18s23;s24;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16ClN7O3 |
All Atoms: | 47 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0501 |
Area: | 658.875 |
Solvation: | -5.42181 |
Coulombic: | -66.418 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.08 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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