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Chemical ID: 4477701
Chemical ID:
4477701
Name [?]:
N-(3-fluorophenyl)-N'-(2-thienylmethyl)oxamide
SMILES [?]:
c1cc(cc(c1)F)NC(=O)C(=O)NCc2cccs2
InChi [?]:
InChI=1/C13H11FN2O2S/c14-9-3-1-4-10(7-9)16-13(18)12(17)15-8-11-5-2-6-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,17,6,2,16,18,4,14,5,3,15,11,9,7,13,8,12,10,19/rA:19nCCCCCCFNCOCONCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;d11;s11;s13;s14;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11FN2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90809 |
Area: | 469.278 |
Solvation: | -2.82386 |
Coulombic: | -51.1329 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.303 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.39 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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