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Chemical ID: 4740296
Chemical ID:
4740296
Name [?]:
N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILES [?]:
c1cc(ccc1NC(=O)Cc2n[nH]nn2)F
InChi [?]:
InChI=1/C9H8FN5O/c10-6-1-3-7(4-2-6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,10,3,6,11,8,16,7,12,15,13,14,9/E:(1,2)(3,4)(12,13)(14,15)/rA:16nCCCCCCNCOCCNNNNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;s13;s11d14;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8FN5O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.47988 |
Area: | 382.251 |
Solvation: | -4.07639 |
Coulombic: | -30.253 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.191 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.42 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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