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Chemical ID: 4668791
Chemical ID:
4668791
Name [?]:
2-(1-cyclohexenyl)-1-phenyl-ethanone
SMILES [?]:
c1ccc(cc1)C(=O)CC2=CCCCC2
InChi [?]:
InChI=1/C14H16O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2,5-7,9-10H,1,3-4,8,11H2
InChi Info:
AuxInfo=1/0/N:13,1,12,14,2,6,11,15,3,5,9,10,4,7,8/E:(5,6)(9,10)/rA:15nCCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85668 |
Area: | 387.373 |
Solvation: | -1.82763 |
Coulombic: | -10.404 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.276 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.68 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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