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Chemical ID: 7080528
Chemical ID:
7080528
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCOC)C
InChi [?]:
InChI=1/C27H31NO5/c1-4-5-6-16-32-20-11-9-19(10-12-20)24-23-25(29)21-17-18(2)8-13-22(21)33-26(23)27(30)28(24)14-7-15-31-3/h8-13,17,24H,4-7,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,32,2,3,4,29,20,9,11,8,12,21,28,30,5,18,19,10,7,17,22,14,13,15,24,25,27,16,26,31,6,23/E:(9,10)(11,12)/rA:33cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCOCC/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;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H31NO5 |
All Atoms: | 64 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3763 |
Area: | 728.386 |
Solvation: | -5.8333 |
Coulombic: | -51.2189 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 449.539 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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