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Chemical ID: 7080154
Chemical ID:
7080154
Name [?]:
None
SMILES [?]:
CCCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
InChi [?]:
InChI=1/C26H29ClN2O4/c1-4-5-14-32-19-9-6-8-17(15-19)23-22-24(30)20-16-18(27)10-11-21(20)33-25(22)26(31)29(23)13-7-12-28(2)3/h6,8-11,15-16,23H,4-5,7,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,32,2,3,8,28,9,7,19,20,29,27,4,11,17,10,18,6,16,21,13,12,14,23,24,33,30,26,15,25,5,22/E:(2,3)/rA:33cCCCCOCCCCCCCCCOCCCCCCOCCONCCCNCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;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: | 13.4853 |
Area: | 734.883 |
Solvation: | -4.88679 |
Coulombic: | -48.0056 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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