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Chemical ID: 6657073
Chemical ID:
6657073
Name [?]:
(2-ethylphenyl)-phenyl-methanone
SMILES [?]:
CCc1ccccc1C(=O)c2ccccc2
InChi [?]:
InChI=1/C15H14O/c1-2-12-8-6-7-11-14(12)15(16)13-9-4-3-5-10-13/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,5,6,4,12,16,7,3,11,8,9,10/E:(4,5)(9,10)/rA:16nCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.30217 |
Area: | 390.844 |
Solvation: | -1.46893 |
Coulombic: | -12.6703 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 210.271 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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