Chemical ID: 4730848

c1cc2c([n+](c1)[O-])CCCC2
Chemical ID:
4730848
Name [?]:
1-oxido-5,6,7,8-tetrahydroquinoline
SMILES [?]:
c1cc2c([n+](c1)[O-])CCCC2
InChi [?]:
InChI=1/C9H11NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
InChi Info:
AuxInfo=1/0/N:10,9,1,11,2,8,6,3,4,5,7/CRV:10.5/rA:11nCCCCN+CO-CCCC/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s3s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-1.98542
Area:296.747
Solvation:-9.40409
Coulombic:-12.2168
Bond Count [?]
All:12
Single:9
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:149.19
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.17
LogP (Chemaxon):0.5

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