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Chemical ID: 5823062
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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