Chemical ID: 4666676

c1cc2c(cc1c3ccc4c(c3)C(=O)CCC4)C(=O)CCC2
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

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Descriptor Annotations

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