Chemical ID: 5036512

CCC[n+]1cc(on1)N
Chemical ID:
5036512
Name [?]:
3-propyl-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-amine
SMILES [?]:
CCC[n+]1cc(on1)N
InChi [?]:
InChI=1/C5H10N3O/c1-2-3-8-4-5(6)9-7-8/h4H,2-3,6H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,3,5,6,9,8,4,7/CRV:8+1/rA:9nCCCN+CCONN/rB:s1;s2;s3;s4;d5;s6;d4s7;s6;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H10N3O+
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:-23.2318
Area:287.738
Solvation:-30.4253
Coulombic:8.40397
Bond Count [?]
All:9
Single:7
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:128.153
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.7
LogP (Chemaxon):-2.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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