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Chemical ID: 7703738
Chemical ID:
7703738
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl)OC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H17Cl2N3O4/c24-18-9-5-15(6-10-18)22(30)26-14-21(29)28-27-13-17-3-1-2-4-20(17)32-23(31)16-7-11-19(25)12-8-16/h1-13H,14H2,(H,26,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,21,27,31,18,20,28,30,7,12,16,26,5,19,29,4,10,14,24,22,32,13,8,9,11,15,25,23/E:(5,6)(7,8)(9,10)(11,12)/rA:32nCCCCCCCNNCOCNCOCCCCCCClOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s4;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17Cl2N3O4 |
All Atoms: | 49 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.8241 |
Area: | 667.015 |
Solvation: | -4.85129 |
Coulombic: | -62.2511 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.91 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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