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Chemical ID: 6691406
Chemical ID:
6691406
Name [?]:
cyclohexylbenzene
SMILES [?]:
c1ccc(cc1)C2CCCCC2
InChi [?]:
InChI=1/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:1,10,2,6,9,11,3,5,8,12,4,7/E:(3,4)(5,6)(7,8)(9,10)/rA:12nCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.80887 |
Area: | 331.189 |
Solvation: | -0.470841 |
Coulombic: | -3.40641 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 160.255 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.79 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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