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Chemical ID: 3993263
Chemical ID:
3993263
Name [?]:
5-amino-2-(4-fluorobenzoyl)amino-5-oxo-pentanoic acid
SMILES [?]:
c1cc(ccc1C(=O)NC(CCC(=O)N)C(=O)O)F
InChi [?]:
InChI=1/C12H13FN2O4/c13-8-3-1-7(2-4-8)11(17)15-9(12(18)19)5-6-10(14)16/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,12,6,3,10,13,7,16,19,15,9,14,8,17,18/E:(1,2)(3,4)(18,19)/rA:19cCCCCCCCONCCCCONCOOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;d13;s13;s10;d16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13FN2O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.38317 |
Area: | 461.227 |
Solvation: | -5.1475 |
Coulombic: | -75.5184 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 268.241 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.24 |
LogP (Chemaxon): | -0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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