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Chemical ID: 7080455
Chemical ID:
7080455
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C23H23NO5/c1-3-28-16-11-9-15(10-12-16)20-19-21(25)17-7-4-5-8-18(17)29-22(19)23(26)24(20)13-6-14-27-2/h4-5,7-12,20H,3,6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,16,17,26,15,18,6,8,5,9,25,27,7,4,14,19,11,10,12,21,22,24,13,23,28,3,20/E:(9,10)(11,12)/rA:29cCCOCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO5 |
All Atoms: | 52 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.71807 |
Area: | 623.112 |
Solvation: | -5.85974 |
Coulombic: | -50.3379 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 393.432 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.93 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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