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Chemical ID: 7353824
Chemical ID:
7353824
Name [?]:
None
SMILES [?]:
COc1cccc(c1C(=O)N2CCc3cc4c(cc3C2=C)OCO4)OC
InChi [?]:
InChI=1/C20H19NO5/c1-12-14-10-18-17(25-11-26-18)9-13(14)7-8-21(12)20(22)19-15(23-2)5-4-6-16(19)24-3/h4-6,9-10H,1,7-8,11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:21,1,26,5,4,6,13,12,15,18,23,20,14,19,3,7,16,17,8,9,11,10,2,25,24,22/E:(2,3)(5,6)(15,16)(23,24)/rA:26nCOCCCCCCCONCCCCCCCCCCOCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s17;s22;s16s23;s7;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO5 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.60349 |
Area: | 528.242 |
Solvation: | -6.60256 |
Coulombic: | -47.1441 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.41 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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