Chemical ID: 6680750

c1ccc2c(c1)c3cccc4c3c5c2cccc5cc4
Chemical ID:
6680750
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3cccc4c3c5c2cccc5cc4
InChi [?]:
InChI=1/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,9,16,10,17,6,3,8,15,20,19,11,18,5,4,7,14,12,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;s9;d10;s7s11;d12;d4s13;s14;d15;s16;s13d17;s18;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.94032
Area:404.991
Solvation:-1.18445
Coulombic:-4.62207
Bond Count [?]
All:24
Single:14
Double:10
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:252.309
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.41
LogP (Chemaxon):5.37

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Experimental Annotations

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Descriptor Annotations

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