Chemical ID: 6701316

c1ccc2c(c1)c3c(n2CC[NH+]4CCCCC4)nc5ccccc5n3
Chemical ID:
6701316
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(n2CC[NH+]4CCCCC4)nc5ccccc5n3
InChi [?]:
InChI=1/C21H22N4/c1-6-12-24(13-7-1)14-15-25-19-11-5-2-8-16(19)20-21(25)23-18-10-4-3-9-17(18)22-20/h2-5,8-11H,1,6-7,12-15H2/p+1
InChi Info:
AuxInfo=1/1/N:15,1,22,21,2,14,16,6,23,20,3,13,17,11,10,5,24,19,4,7,8,25,18,12,9/E:(6,7)(12,13)/rA:25nCCCCCCCCNCCN+CCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;s11;s12;s13;s14;s15;s12s16;d8;s18;s19;d20;s21;d22;d19s23;d7s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N4+
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-16.8535
Area:536.105
Solvation:-30.2562
Coulombic:7.69154
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.434
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.79
LogP (Chemaxon):4.8

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