Chemical ID: 4512906

c1ccc(cc1)c2nnnn2c3ccn(n3)c4ccccc4
Chemical ID:
4512906
Name [?]:
5-phenyl-1-(1-phenylpyrazol-3-yl)-tetrazole
SMILES [?]:
c1ccc(cc1)c2nnnn2c3ccn(n3)c4ccccc4
InChi [?]:
InChI=1/C16H12N6/c1-3-7-13(8-4-1)16-17-19-20-22(16)15-11-12-21(18-15)14-9-5-2-6-10-14/h1-12H
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,3,5,18,22,13,14,4,17,12,7,8,16,9,10,15,11/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCNNNNCCCNNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;s12;d13;s14;d12s15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.80936
Area:464.44
Solvation:-1.80164
Coulombic:-13.9931
Bond Count [?]
All:25
Single:15
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.307
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.0
LogP (Chemaxon):3.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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