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Chemical ID: 7080472
Chemical ID:
7080472
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C26H29NO5/c1-3-4-7-17-31-19-13-11-18(12-14-19)23-22-24(28)20-9-5-6-10-21(20)32-25(22)26(29)27(23)15-8-16-30-2/h5-6,9-14,23H,3-4,7-8,15-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,3,19,20,4,29,18,21,9,11,8,12,28,30,5,10,7,17,22,14,13,15,24,25,27,16,26,31,6,23/E:(11,12)(13,14)/rA:32cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29NO5 |
All Atoms: | 61 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7492 |
Area: | 703.828 |
Solvation: | -5.84655 |
Coulombic: | -51.4406 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 435.512 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.42 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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