Chemical ID: 5664379

c1ccc(cc1)c2nnn(n2)CC(=O)NN=Cc3cccc(c3)F
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

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