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Chemical ID: 7705542
Chemical ID:
7705542
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(=O)Nc3cccc(c3C)Cl
InChi [?]:
InChI=1/C24H22ClN3O3/c1-16-6-8-19(9-7-16)15-31-20-12-10-18(11-13-20)14-26-28-24(30)23(29)27-22-5-3-4-21(25)17(22)2/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,30,26,27,25,3,7,4,6,12,14,11,15,16,8,2,29,13,5,10,28,24,21,19,31,17,23,18,22,20,9/E:(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCCCCCOCCCCCCCNNCOCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22ClN3O3 |
All Atoms: | 53 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.1431 |
Area: | 709.824 |
Solvation: | -4.60247 |
Coulombic: | -53.7866 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.93 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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