Chemical ID: 6689626

c1c2c(c(c(c1Br)O)c3c4c(cc(c3O)Br)CCCC4)CCCC2
Chemical ID:
6689626
Name [?]:
3-bromo-1-(3-bromo-2-hydroxy-tetralin-1-yl)-tetralin-2-ol
SMILES [?]:
c1c2c(c(c(c1Br)O)c3c4c(cc(c3O)Br)CCCC4)CCCC2
InChi [?]:
InChI=1/C20H20Br2O2/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h9-10,23-24H,1-8H2
InChi Info:
AuxInfo=1/0/N:18,23,19,22,17,24,20,21,12,1,11,2,10,3,13,6,9,4,14,5,16,7,15,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCCCBrOCCCCCCOBrCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s9;d10;s11;d12;d9s13;s14;s13;s11;s17;s18;s10s19;s3;s21;s22;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20Br2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6052
Area:515.249
Solvation:-2.27601
Coulombic:-34.5853
Bond Count [?]
All:27
Single:21
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:452.18
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:7.25
LogP (Chemaxon):7.19

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Descriptor Annotations

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