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Chemical ID: 7004856
Chemical ID:
7004856
Name [?]:
None
SMILES [?]:
CCOC(=O)CN1Cc2c3c(c(oc3c4ccccc4c2OC1)C)C(=O)OCC
InChi [?]:
InChI=1/C22H23NO6/c1-4-26-17(24)11-23-10-16-19-18(22(25)27-5-2)13(3)29-21(19)15-9-7-6-8-14(15)20(16)28-12-23/h6-9H,4-5,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,24,2,28,18,17,19,16,8,6,23,12,20,15,9,4,11,10,21,14,25,7,5,26,3,27,22,13/rA:29cCCOCOCNCCCCCOCCCCCCCCOCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s12;d10s13;s14;s15;d16;s17;d18;d15s19;d9s20;s21;s7s22;s12;s11;d25;s25;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO6 |
All Atoms: | 52 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0424 |
Area: | 612.173 |
Solvation: | -5.26192 |
Coulombic: | -57.4474 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 397.421 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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