Chemical ID: 5363519

c1ccc(cc1)Cc2nnco2
Chemical ID:
5363519
Name [?]:
2-benzyl-1,3,4-oxadiazole
SMILES [?]:
c1ccc(cc1)Cc2nnco2
InChi [?]:
InChI=1/C9H8N2O/c1-2-4-8(5-3-1)6-9-11-10-7-12-9/h1-5,7H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,11,4,8,10,9,12/E:(2,3)(4,5)/rA:12nCCCCCCCCNNCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.37224
Area:325.172
Solvation:-1.75707
Coulombic:-13.0899
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:160.173
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.7
LogP (Chemaxon):0.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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