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Chemical ID: 7080591
Chemical ID:
7080591
Name [?]:
None
SMILES [?]:
CCCCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCOC)Cl
InChi [?]:
InChI=1/C26H28ClNO5/c1-3-4-5-14-32-19-9-6-8-17(15-19)23-22-24(29)20-16-18(27)10-11-21(20)33-25(22)26(30)28(23)12-7-13-31-2/h6,8-11,15-16,23H,3-5,7,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,3,4,9,29,10,8,20,21,28,30,5,12,18,11,19,7,17,22,14,13,15,24,25,33,27,16,26,31,6,23/rA:33cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCOCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;s29;s30;s31;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28ClNO5 |
All Atoms: | 61 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4348 |
Area: | 738.029 |
Solvation: | -6.01594 |
Coulombic: | -50.8503 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 469.957 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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