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Chemical ID: 6575395
Chemical ID:
6575395
Name [?]:
N-fluoren-9-ylideneamino-2-(5-phenyltetrazol-2-yl)-acetamide
SMILES [?]:
c1ccc(cc1)c2nnn(n2)CC(=O)NN=C3c4ccccc4-c5c3cccc5
InChi [?]:
InChI=1/C22H16N6O/c29-20(14-28-26-22(25-27-28)15-8-2-1-3-9-15)23-24-21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h1-13H,14H2,(H,23,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,28,20,27,3,5,22,29,19,26,12,4,23,24,18,25,13,17,7,15,16,8,11,9,10,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)/rA:29nCCCCCCCNNNNCCONNCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s17s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16N6O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6258 |
Area: | 609.893 |
Solvation: | -4.6215 |
Coulombic: | -26.5598 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 380.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.73 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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