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Chemical ID: 4907247
Chemical ID:
4907247
Name [?]:
None
SMILES [?]:
CC1c2cc(c(cc2CC3N1CCc4c3cc(c(c4)OC)OC)OC)OC
InChi [?]:
InChI=1/C22H27NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h9-13,18H,6-8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,21,25,27,23,13,12,9,19,7,4,16,2,14,8,3,15,10,18,6,5,17,11,20,24,26,22/rA:27cCCCCCCCCCCNCCCCCCCCOCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s11;s12;s13;s10s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s6;s24;s5;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.47618 |
Area: | 557.512 |
Solvation: | -8.46162 |
Coulombic: | -32.6879 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.454 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.93 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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