Chemical ID: 7197150

C[NH2+]Cc1cn2ccccc2n1
Chemical ID:
7197150
Name [?]:
1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-ylmethyl-methyl-ammonium
SMILES [?]:
C[NH2+]Cc1cn2ccccc2n1
InChi [?]:
InChI=1/C9H11N3/c1-10-6-8-7-12-5-3-2-4-9(12)11-8/h2-5,7,10H,6H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,3,5,4,11,2,12,6/rA:12nCN+CCCNCCCCCN/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s6s10;s4d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N3+
All Atoms:24
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-27.7644
Area:329.976
Solvation:-36.0138
Coulombic:25.8949
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:162.212
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.51
LogP (Chemaxon):1.02

Name Annotations

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Descriptor Annotations

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