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Chemical ID: 7088322
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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