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Chemical ID: 4807490
Chemical ID:
4807490
Name [?]:
None
SMILES [?]:
Cc1cc2c(c(c1)OC(C)C(=O)NCCCC(=O)O)c3c(c(=O)o2)CCC3
InChi [?]:
InChI=1/C20H23NO6/c1-11-9-15(26-12(2)19(24)21-8-4-7-17(22)23)18-13-5-3-6-14(13)20(25)27-16(18)10-11/h9-10,12H,3-8H2,1-2H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,26,15,27,25,16,14,7,3,2,9,20,21,6,4,17,5,11,22,13,18,19,12,23,8,24/E:(22,23)/rA:27cCCCCCCCOCCCONCCCCOOCCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;d11;s11;s13;s14;s15;s16;d17;s17;s5;d20;s21;d22;s4s22;s21;s25;s20s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO6 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.37803 |
Area: | 593.892 |
Solvation: | -5.46929 |
Coulombic: | -72.5696 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 373.4 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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