Chemical ID: 6730050

c1ccc2c(c1)[nH+]c3n2CCN3
Chemical ID:
6730050
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)[nH+]c3n2CCN3
InChi [?]:
InChI=1/C9H9N3/c1-2-4-8-7(3-1)11-9-10-5-6-12(8)9/h1-4H,5-6H2,(H,10,11)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,10,5,4,8,12,7,9/rA:12nCCCCCCN+CNCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N3+
All Atoms:22
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-22.3968
Area:307.157
Solvation:-30.0758
Coulombic:-17.2305
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:160.196
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.67
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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