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Chemical ID: 6663132
Chemical ID:
6663132
Name [?]:
1-phenylpentan-2-one
SMILES [?]:
CCCC(=O)Cc1ccccc1
InChi [?]:
InChI=1/C11H14O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,3,8,12,6,7,4,5/E:(4,5)(7,8)/rA:12nCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.51175 |
Area: | 348.78 |
Solvation: | -2.20775 |
Coulombic: | -8.3409 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 162.228 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.54 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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