Chemical ID: 5703916

CCCCCCCC[NH2+]c1c2cc(cc(c2nc3c1C(=O)CC(C3)(C)C)C)C
Chemical ID:
5703916
Name [?]:
octyl-(3,3,5,7-tetramethyl-1-oxo-2,4-dihydroacridin-9-yl)-ammonium
SMILES [?]:
CCCCCCCC[NH2+]c1c2cc(cc(c2nc3c1C(=O)CC(C3)(C)C)C)C
InChi [?]:
InChI=1/C25H36N2O/c1-6-7-8-9-10-11-12-26-24-19-14-17(2)13-18(3)23(19)27-20-15-25(4,5)16-21(28)22(20)24/h13-14H,6-12,15-16H2,1-5H3,(H,26,27)/p+1
InChi Info:
AuxInfo=1/1/N:1,28,27,25,26,2,3,4,5,6,7,8,14,12,24,22,13,15,11,18,20,19,16,10,23,9,17,21/E:(4,5)/rA:28nCCCCCCCCN+CCCCCCCNCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s19;d20;s20;s22;s18s23;s23;s23;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H37N2O+
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-14.6413
Area:638.83
Solvation:-30.6121
Coulombic:18.2764
Bond Count [?]
All:30
Single:24
Double:6
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.574
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:7.14
LogP (Chemaxon):6.69

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Descriptor Annotations

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