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Chemical ID: 6693397
Chemical ID:
6693397
Name [?]:
None
SMILES [?]:
CCCCCCC(C)(C)c1cc(c2c(c1)OC(C3C2CC(=CC3)CO)(C)C)O
InChi [?]:
InChI=1/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,9,26,27,2,3,4,5,22,23,6,20,11,15,24,21,10,19,18,12,14,13,7,17,25,28,16/E:(2,3)(4,5)/rA:28cCCCCCCCCCCCCCCCOCCCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;s7;s7;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;s19;s20;d21;s18s22;s21;s24;s17;s17;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H38O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.204 |
Area: | 625.486 |
Solvation: | -3.43314 |
Coulombic: | -44.1704 |
Bond Count [?]
All: | 30 |
Single: | 26 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.567 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 6.54 |
LogP (Chemaxon): | 5.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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