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Chemical ID: 4969857
Chemical ID:
4969857
Name [?]:
2-phenethylcyclohexan-1-one
SMILES [?]:
c1ccc(cc1)CCC2CCCCC2=O
InChi [?]:
InChI=1/C14H18O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,7,8,4,9,14,15/E:(2,3)(6,7)/rA:15cCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.93212 |
Area: | 388.508 |
Solvation: | -1.78057 |
Coulombic: | -9.50507 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 202.292 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.23 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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