Chemical ID: 4725777

c1cc(ccc1C(=O)Nc2nnc(s2)SCC(=O)O)F
Chemical ID:
4725777
Name [?]:
2-[[5-(4-fluorobenzoyl)amino-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILES [?]:
c1cc(ccc1C(=O)Nc2nnc(s2)SCC(=O)O)F
InChi [?]:
InChI=1/C11H8FN3O3S2/c12-7-3-1-6(2-4-7)9(18)13-10-14-15-11(20-10)19-5-8(16)17/h1-4H,5H2,(H,16,17)(H,13,14,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,6,3,17,7,10,13,20,9,11,12,18,19,8,15,14/E:(1,2)(3,4)(16,17)/rA:20nCCCCCCCONCNNCSSCCOOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s13;s15;s16;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8FN3O3S2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.78725
Area:498.029
Solvation:-4.66346
Coulombic:-55.341
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:313.33
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.3
LogP (Chemaxon):1.95

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