Chemical ID: 5806174

c1ccc2c(c1)cc(cn2)n3cnnn3
Chemical ID:
5806174
Name [?]:
3-tetrazol-1-ylquinoline
SMILES [?]:
c1ccc2c(c1)cc(cn2)n3cnnn3
InChi [?]:
InChI=1/C10H7N5/c1-2-4-10-8(3-1)5-9(6-11-10)15-7-12-13-14-15/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,9,12,5,8,4,10,13,14,15,11/rA:15nCCCCCCCCCNNCNNN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s8;s11;d12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7N5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.92078
Area:358.816
Solvation:-2.04962
Coulombic:-9.77683
Bond Count [?]
All:17
Single:10
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:197.196
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.69
LogP (Chemaxon):1.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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