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Chemical ID: 6680750
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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