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Chemical ID: 5625809
Chemical ID:
5625809
Name [?]:
2-(1-methyl-4-bicyclo[2.2.2]octyl)-1-phenyl-ethanone
SMILES [?]:
CC12CCC(CC1)(CC2)CC(=O)c3ccccc3
InChi [?]:
InChI=1/C17H22O/c1-16-7-10-17(11-8-16,12-9-16)13-15(18)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,3,7,9,4,6,8,10,13,11,2,5,12/E:(3,4)(5,6)(7,8,9)(10,11,12)/rA:18nCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s2s8;s5;s10;d11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99776 |
Area: | 419.177 |
Solvation: | -1.48167 |
Coulombic: | -10.8734 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 242.356 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.94 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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