Chemical ID: 5726708

c1c2c(nc(c1C#N)O)CCC2
Chemical ID:
5726708
Name [?]:
4-hydroxy-5-azabicyclo[4.3.0]nona-2,4,10-triene-3-carbonitrile
SMILES [?]:
c1c2c(nc(c1C#N)O)CCC2
InChi [?]:
InChI=1/C9H8N2O/c10-5-7-4-6-2-1-3-8(6)11-9(7)12/h4H,1-3H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:11,12,10,1,7,2,6,3,5,8,4,9/rA:12nCCCNCCCNOCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s5;s3;s10;s2s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.86767
Area:322.569
Solvation:-2.19654
Coulombic:-24.6785
Bond Count [?]
All:13
Single:9
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:160.173
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.59
LogP (Chemaxon):1.73

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Descriptor Annotations

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