Chemical ID: 5398504

c1cc(cc(c1)O)c2nnco2
Chemical ID:
5398504
Name [?]:
3-(1,3,4-oxadiazol-2-yl)phenol
SMILES [?]:
c1cc(cc(c1)O)c2nnco2
InChi [?]:
InChI=1/C8H6N2O2/c11-7-3-1-2-6(4-7)8-10-9-5-12-8/h1-5,11H
InChi Info:
AuxInfo=1/0/N:1,2,6,4,11,3,5,8,10,9,7,12/rA:12nCCCCCCOCNNCO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.64095
Area:318.793
Solvation:-2.32887
Coulombic:-29.1766
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:162.146
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.49
LogP (Chemaxon):0.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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