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Chemical ID: 3965618
Chemical ID:
3965618
Name [?]:
None
SMILES [?]:
CC#CCC(C)C(C=CC1C(CC2C1c3cccc(c3O2)CCCC(=O)O)O)O
InChi [?]:
InChI=1/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,6,2,3,17,23,4,18,22,16,24,9,8,12,5,19,10,15,7,11,13,25,14,20,29,28,26,27,21/E:(27,28)/rA:29cCCCCCCCCCCCCCCCCCCCCOCCCCOOOO/rB:s1;t2;s3;s4;s5;s5;s7;w8;s9;s10;s11;s12;s10s13;s14;s15;d16;s17;d18;d15s19;s13s20;s19;s22;s23;s24;d25;s25;s11;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 11.0044 |
Area: | 668.195 |
Solvation: | -5.70045 |
Coulombic: | -69.0395 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 398.492 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.82 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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