Chemical ID: 5772396

CCCC[n+]1cc(on1)[NH-]
Chemical ID:
5772396
Name [?]:
(3-butyl-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-yl)azanide
SMILES [?]:
CCCC[n+]1cc(on1)[NH-]
InChi [?]:
InChI=1/C6H11N3O/c1-2-3-4-9-5-6(7)10-8-9/h5,7H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,6,7,10,9,5,8/CRV:7-1,9+1/rA:10nCCCCN+CCONN-/rB:s1;s2;s3;s4;s5;d6;s7;d5s8;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H11N3O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-17.3082
Area:314.56
Solvation:-25.1722
Coulombic:0.83164
Bond Count [?]
All:10
Single:8
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:141.171
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.28
LogP (Chemaxon):-2.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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