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Chemical ID: 6692786
Chemical ID:
6692786
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCc3ccccc3C2
InChi [?]:
InChI=1/C15H14/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-8H,9-11H2
InChi Info:
AuxInfo=1/0/N:1,11,2,12,6,10,3,13,7,8,15,5,9,4,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:15nCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s4s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02245 |
Area: | 358.093 |
Solvation: | -0.929874 |
Coulombic: | -3.21751 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 194.272 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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