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Chemical ID: 7080139
Chemical ID:
7080139
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
InChi [?]:
InChI=1/C26H29ClN2O4/c1-4-5-15-32-19-10-7-17(8-11-19)23-22-24(30)20-16-18(27)9-12-21(20)33-25(22)26(31)29(23)14-6-13-28(2)3/h7-12,16,23H,4-6,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,32,2,3,28,8,10,19,7,11,20,29,27,4,17,9,18,6,16,21,13,12,14,23,24,33,30,26,15,25,5,22/E:(2,3)(7,8)(10,11)/rA:33cCCCCOCCCCCCCCCOCCCCCCOCCONCCCNCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s12s24;s26;s27;s28;s29;s30;s30;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29ClN2O4 |
All Atoms: | 62 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5646 |
Area: | 732.971 |
Solvation: | -4.75969 |
Coulombic: | -48.1142 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 468.972 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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