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Chemical ID: 7703836
Chemical ID:
7703836
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C26H27ClN2O3/c1-2-3-4-20-7-13-25(14-8-20)32-19-26(30)29-28-17-21-9-15-24(16-10-21)31-18-22-5-11-23(27)12-6-22/h5-17H,2-4,18-19H2,1H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,27,31,6,10,19,23,28,30,7,9,20,22,17,25,12,5,18,26,29,21,8,13,32,16,15,14,24,11/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:32nCCCCCCCCCCOCCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27ClN2O3 |
All Atoms: | 59 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.9511 |
Area: | 766.722 |
Solvation: | -7.2169 |
Coulombic: | -36.0624 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.96 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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