Chemical ID: 5823062

c1ccc2c(c1)c(c3c(n2)CCCC3)[NH3+]
Chemical ID:
5823062
Name [?]:
1,2,3,4-tetrahydroacridin-9-ylammonium
SMILES [?]:
c1ccc2c(c1)c(c3c(n2)CCCC3)[NH3+]
InChi [?]:
InChI=1/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)/p+1
InChi Info:
AuxInfo=1/1/N:1,13,2,12,6,14,3,11,5,8,4,9,7,15,10/rA:15nCCCCCCCCCNCCCCN+/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;s12;s8s13;s7;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15N2+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-30.4975
Area:355.305
Solvation:-39.3801
Coulombic:38.9316
Bond Count [?]
All:17
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:199.272
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.23
LogP (Chemaxon):2.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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