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Chemical ID: 7088099
Chemical ID:
7088099
Name [?]:
3-(2-chloro-4-fluoro-phenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2ccc(cc2Cl)F
InChi [?]:
InChI=1/C15H10ClFO/c16-14-10-13(17)8-6-11(14)7-9-15(18)12-4-2-1-3-5-12/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,10,13,9,15,11,4,14,16,7,17,18,8/E:(2,3)(4,5)/rA:18nCCCCCCCOCCCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10ClFO |
All Atoms: | 28 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31701 |
Area: | 446.811 |
Solvation: | -2.85327 |
Coulombic: | -15.0655 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.69 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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