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Chemical ID: 3966692
Chemical ID:
3966692
Name [?]:
2-(3-fluoro-4-phenyl-phenyl)propanoic acid
SMILES [?]:
CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,15,4,5,8,2,10,3,6,7,16,9,17,18/E:(3,4)(5,6)(17,18)/rA:18cCCCCCCCCFCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s6;s10;d11;s12;d13;d10s14;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13FO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.66288 |
Area: | 421.191 |
Solvation: | -2.86689 |
Coulombic: | -32.7304 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 244.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.76 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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