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Chemical ID: 5664379
Chemical ID:
5664379
Name [?]:
N-[(3-fluorophenyl)methyleneamino]-2-(5-phenyltetrazol-2-yl)-acetamide
SMILES [?]:
c1ccc(cc1)c2nnn(n2)CC(=O)NN=Cc3cccc(c3)F
InChi [?]:
InChI=1/C16H13FN6O/c17-14-8-4-5-12(9-14)10-18-19-15(24)11-23-21-16(20-22-23)13-6-2-1-3-7-13/h1-10H,11H2,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,19,3,5,21,23,17,12,18,4,22,13,7,24,16,15,8,11,9,10,14/E:(2,3)(6,7)/rA:24nCCCCCCCNNNNCCONNCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13FN6O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.80139 |
Area: | 532.894 |
Solvation: | -5.52096 |
Coulombic: | -27.6148 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.12 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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