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Chemical ID: 5160485
Chemical ID:
5160485
Name [?]:
5-cyclohexyl-1-phenyl-pentan-2-one
SMILES [?]:
c1ccc(cc1)CC(=O)CCCC2CCCCC2
InChi [?]:
InChI=1/C17H24O/c18-17(14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h2,5-6,10-11,15H,1,3-4,7-9,12-14H2
InChi Info:
AuxInfo=1/0/N:16,1,15,17,2,6,11,14,18,3,5,12,10,7,13,4,8,9/E:(3,4)(5,6)(8,9)(10,11)/rA:18nCCCCCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46607 |
Area: | 468.059 |
Solvation: | -2.2354 |
Coulombic: | -9.63461 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 244.372 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.55 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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