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Chemical ID: 4730848
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
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Experimental Annotations
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Descriptor Annotations
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