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Chemical ID: 4282572
Chemical ID:
4282572
Name [?]:
None
SMILES [?]:
CC(=CCc1c(c2c(=O)c(coc2c3c1OC(C=C3)(C)C)c4ccc(cc4)O)O)C
InChi [?]:
InChI=1/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,20,21,3,23,27,24,26,4,19,18,11,2,22,25,5,14,10,7,6,8,15,13,17,28,29,9,12,16/E:(1,2)(3,4)(6,7)(8,9)/rA:30nCCCCCCCCOCCOCCCOCCCCCCCCCCCOOC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s8;d10;s11;s7s12;d13;d5s14;s15;s16;s17;s14d18;s17;s17;s10;s22;d23;s24;d25;d22s26;s25;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4665 |
Area: | 607.363 |
Solvation: | -4.71761 |
Coulombic: | -57.0331 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 404.455 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.81 |
LogP (Chemaxon): | 5.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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