Chemical ID: 7088322

c1ccc(c(c1)NC(c2ccc(cc2)Cl)C(=O)O)F
Chemical ID:
7088322
Name [?]:
2-(4-chlorophenyl)-2-(2-fluorophenyl)amino-acetic acid
SMILES [?]:
c1ccc(c(c1)NC(c2ccc(cc2)Cl)C(=O)O)F
InChi [?]:
InChI=1/C14H11ClFNO2/c15-10-7-5-9(6-8-10)13(14(18)19)17-12-4-2-1-3-11(12)16/h1-8,13,17H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,10,14,11,13,9,12,4,5,8,16,15,19,7,17,18/E:(5,6)(7,8)(18,19)/rA:19cCCCCCCNCCCCCCCClCOOF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s8;d16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClFNO2
All Atoms:30
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.16785
Area:453.934
Solvation:-3.18051
Coulombic:-45.878
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.694
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.41
LogP (Chemaxon):3.79

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