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Chemical ID: 5089899
Chemical ID:
5089899
Name [?]:
1-styrylnaphthalene
SMILES [?]:
c1ccc(cc1)C=Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C18H14/c1-2-7-15(8-3-1)13-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-14H
InChi Info:
AuxInfo=1/0/N:1,2,6,17,16,11,3,5,18,12,10,15,7,8,4,13,9,14/E:(2,3)(7,8)/rA:18nCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04652 |
Area: | 403.68 |
Solvation: | -1.04549 |
Coulombic: | -5.56435 |
Bond Count [?]
All: | 20 |
Single: | 11 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 230.304 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.92 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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