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Chemical ID: 7703445
Chemical ID:
7703445
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3c4ccccc4ccc3OC(=O)c5ccccc5
InChi [?]:
InChI=1/C33H26N2O4/c1-23-11-13-24(14-12-23)22-38-28-18-15-26(16-19-28)32(36)35-34-21-30-29-10-6-5-7-25(29)17-20-31(30)39-33(37)27-8-3-2-4-9-27/h2-21H,22H2,1H3,(H,35,36)
InChi Info:
AuxInfo=1/1/N:1,37,36,38,25,24,26,35,39,23,3,7,4,6,12,14,28,11,15,29,20,8,2,5,27,13,34,10,22,21,30,16,32,19,18,17,33,9,31/E:(3,4)(8,9)(11,12)(13,14)(15,16)(18,19)/rA:39nCCCCCCCCOCCCCCCCONNCCCCCCCCCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;w19;s20;s21;s22;d23;s24;d25;d22s26;s27;d28;d21s29;s30;s31;d32;s32;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H26N2O4 |
All Atoms: | 65 |
Heavy Atoms: | 39 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.5094 |
Area: | 771.34 |
Solvation: | -5.77412 |
Coulombic: | -50.3145 |
Bond Count [?]
All: | 43 |
Single: | 26 |
Double: | 17 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.82 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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