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Chemical ID: 5178175
Chemical ID:
5178175
Name [?]:
3-cyclopentyl-1-phenyl-propan-1-one
SMILES [?]:
c1ccc(cc1)C(=O)CCC2CCCC2
InChi [?]:
InChI=1/C14H18O/c15-14(13-8-2-1-3-9-13)11-10-12-6-4-5-7-12/h1-3,8-9,12H,4-7,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,12,15,3,5,10,9,11,4,7,8/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51536 |
Area: | 403.429 |
Solvation: | -1.57037 |
Coulombic: | -10.5866 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 202.292 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.56 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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