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Chemical ID: 7705820
Chemical ID:
7705820
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C(C(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)Cl)O
InChi [?]:
InChI=1/C22H17ClN2O4/c23-18-11-9-17(10-12-18)22(28)29-19-8-4-5-15(13-19)14-24-25-21(27)20(26)16-6-2-1-3-7-16/h1-14,20,26H,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,3,5,16,23,27,24,26,18,12,13,4,22,25,17,7,8,20,28,11,10,29,9,21,19/E:(2,3)(6,7)(9,10)(11,12)/rA:29cCCCCCCCCONNCCCCCCCOCOCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17ClN2O4 |
All Atoms: | 46 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1194 |
Area: | 645.136 |
Solvation: | -5.00903 |
Coulombic: | -58.6285 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.94 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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