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Chemical ID: 6673321
Chemical ID:
6673321
Name [?]:
4-phenylbutylbenzene
SMILES [?]:
c1ccc(cc1)CCCCc2ccccc2
InChi [?]:
InChI=1/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChi Info:
AuxInfo=1/0/N:1,14,2,6,13,15,8,9,3,5,12,16,7,10,4,11/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)/rA:16nCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90972 |
Area: | 432.289 |
Solvation: | -0.897496 |
Coulombic: | -4.79107 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 210.314 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.51 |
LogP (Chemaxon): | 5.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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