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Chemical ID: 4666676
Chemical ID:
4666676
Name [?]:
7-(8-oxotetralin-2-yl)tetralin-1-one
SMILES [?]:
c1cc2c(cc1c3ccc4c(c3)C(=O)CCC4)C(=O)CCC2
InChi [?]:
InChI=1/C20H18O2/c21-19-5-1-3-13-7-9-15(11-17(13)19)16-10-8-14-4-2-6-20(22)18(14)12-16/h7-12H,1-6H2
InChi Info:
AuxInfo=1/0/N:16,21,17,22,15,20,9,2,8,1,12,5,10,3,7,6,11,4,13,18,14,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCCCCCCCOCCCCOCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s15;s10s16;s4;d18;s18;s20;s3s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16914 |
Area: | 479.926 |
Solvation: | -2.82902 |
Coulombic: | -17.3201 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 290.356 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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