Chemical ID: 6704102

CC(C)(c1cn2ccccc2[nH+]1)O
Chemical ID:
6704102
Name [?]:
2-(1-aza-7-azoniabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)propan-2-ol
SMILES [?]:
CC(C)(c1cn2ccccc2[nH+]1)O
InChi [?]:
InChI=1/C10H12N2O/c1-10(2,13)8-7-12-6-4-3-5-9(12)11-8/h3-7,13H,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,9,8,10,7,5,4,11,2,12,6,13/E:(1,2)/rA:13nCCCCCNCCCCCN+O/rB:s1;s2;s2;d4;s5;s6;d7;s8;d9;s6s10;s4d11;s2;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N2O+
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-20.9421
Area:337.434
Solvation:-29.3779
Coulombic:-21.4717
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.223
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:0.98
LogP (Chemaxon):1.7

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Descriptor Annotations

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