Chemical ID: 4662902

c1ccc(cc1)c2nnco2
Chemical ID:
4662902
Name [?]:
2-phenyl-1,3,4-oxadiazole
SMILES [?]:
c1ccc(cc1)c2nnco2
InChi [?]:
InChI=1/C8H6N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,4,7,9,8,11/E:(2,3)(4,5)/rA:11nCCCCCCCNNCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.14646
Area:301.714
Solvation:-1.39638
Coulombic:-14.4486
Bond Count [?]
All:12
Single:7
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:146.146
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.89
LogP (Chemaxon):0.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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