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Chemical ID: 4756193
Chemical ID:
4756193
Name [?]:
5-[4-(difluoromethoxy)phenyl]amino-5-oxo-pentanoic acid
SMILES [?]:
c1cc(ccc1NC(=O)CCCC(=O)O)OC(F)F
InChi [?]:
InChI=1/C12H13F2NO4/c13-12(14)19-9-6-4-8(5-7-9)15-10(16)2-1-3-11(17)18/h4-7,12H,1-3H2,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:11,10,12,1,5,2,4,6,3,8,13,17,18,19,7,9,14,15,16/E:(4,5)(6,7)(13,14)(17,18)/rA:19nCCCCCCNCOCCCCOOOCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s13;s3;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13F2NO4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.98902 |
Area: | 451.609 |
Solvation: | -5.3012 |
Coulombic: | -63.6644 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.233 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.63 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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