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Chemical ID: 6689614
Chemical ID:
6689614
Name [?]:
1-(2-hydroxytetralin-1-yl)tetralin-2-ol
SMILES [?]:
c1cc(c(c2c1CCCC2)c3c(ccc4c3CCCC4)O)O
InChi [?]:
InChI=1/C20H22O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h9-12,21-22H,1-8H2
InChi Info:
AuxInfo=1/0/N:8,19,9,18,7,20,10,17,1,14,2,13,6,15,5,16,3,12,4,11,22,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s5s9;s4;s11;d12;s13;d14;d11s15;s16;s17;s18;s15s19;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0754 |
Area: | 459.464 |
Solvation: | -2.4112 |
Coulombic: | -34.5084 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 294.387 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 5.65 |
LogP (Chemaxon): | 5.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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