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Chemical ID: 4913449
Chemical ID:
4913449
Name [?]:
None
SMILES [?]:
CN(C)CCc1cc(c2c3c1c(=O)oc4c3c(ccc4OC)c(=O)o2)OC
InChi [?]:
InChI=1/C20H19NO6/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18/h5-6,9H,7-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,22,27,18,19,5,4,7,6,17,20,8,11,16,10,15,9,23,12,2,24,13,21,26,25,14/E:(1,2)/rA:27nCNCCCCCCCCCCOOCCCCCCOCCOOOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s14;s10s15;d16;s17;d18;d15s19;s20;s21;s17;d23;s9s23;s8;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO6 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.5169 |
Area: | 532.965 |
Solvation: | -6.80721 |
Coulombic: | -54.652 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.368 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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