Chemical ID: 5576311

c1ccc2c(c1)CC2=NO
Chemical ID:
5576311
Name [?]:
bicyclo[4.2.0]octa-2,4,9-trien-8-one oxime
SMILES [?]:
c1ccc2c(c1)CC2=NO
InChi [?]:
InChI=1/C8H7NO/c10-9-8-5-6-3-1-2-4-7(6)8/h1-4,10H,5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,5,4,8,9,10/rA:10nCCCCCCCCNO/rB:s1;d2;s3;d4;d1s5;s5;s4s7;w8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.58472
Area:288.721
Solvation:-1.63332
Coulombic:-13.6104
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:133.147
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.61
LogP (Chemaxon):1.12

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue