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Chemical ID: 6212139
Chemical ID:
6212139
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(oc2c1c(c(c3c2cccc3)O)C(c4ccc(cc4)OC)N5CCOCC5)C
InChi [?]:
InChI=1/C28H29NO6/c1-4-34-28(31)22-17(2)35-27-21-8-6-5-7-20(21)26(30)24(23(22)27)25(29-13-15-33-16-14-29)18-9-11-19(32-3)12-10-18/h5-12,25,30H,4,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,28,2,17,16,18,15,22,26,23,25,30,34,31,33,7,21,24,13,14,6,10,11,20,12,9,4,29,19,5,27,32,3,8/E:(9,10)(11,12)(13,14)(15,16)/rA:35cCCOCOCCOCCCCCCCCCCOCCCCCCCOCNCCOCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s12;s11;s20;s21;d22;s23;d24;d21s25;s24;s27;s20;s29;s30;s31;s32;s29s33;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H29NO6 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5339 |
Area: | 653.744 |
Solvation: | -5.80967 |
Coulombic: | -64.5736 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 475.533 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.39 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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