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Chemical ID: 5772396
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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