Chemical ID: 7085864

CC(c1cccnc1)[NH2+]CCCO
Chemical ID:
7085864
Name [?]:
3-hydroxypropyl-[1-(3-pyridyl)ethyl]ammonium
SMILES [?]:
CC(c1cccnc1)[NH2+]CCCO
InChi [?]:
InChI=1/C10H16N2O/c1-9(12-6-3-7-13)10-4-2-5-11-8-10/h2,4-5,8-9,12-13H,3,6-7H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,5,11,4,6,10,12,8,2,3,7,9,13/rA:13cCCCCCCNCN+CCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H17N2O+
All Atoms:30
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:-27.0845
Area:378.056
Solvation:-36.5359
Coulombic:16.8909
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:181.255
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:0.46
LogP (Chemaxon):0.28

Name Annotations

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Descriptor Annotations

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