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Chemical ID: 7388634
Chemical ID:
7388634
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CCCOC(C)C
InChi [?]:
InChI=1/C25H26ClNO6/c1-13(2)32-9-5-8-27-22(15-6-7-18(28)20(11-15)31-4)21-23(29)16-12-17(26)14(3)10-19(16)33-24(21)25(27)30/h6-7,10-13,22,28H,5,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:32,33,1,25,28,19,20,27,29,3,23,6,31,2,18,5,7,21,4,22,11,17,9,12,14,8,16,26,10,15,24,30,13/E:(1,2)/rA:33cCCCCCCCClCOCCOCONCCCCCCCOCOCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s16;s27;s28;s29;s30;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26ClNO6 |
All Atoms: | 59 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5421 |
Area: | 708.552 |
Solvation: | -7.17165 |
Coulombic: | -65.0938 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 471.93 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.75 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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