Chemical ID: 3966692

CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O
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

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