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Chemical ID: 7644836
Chemical ID:
7644836
Name [?]:
None
SMILES [?]:
Cc1cc2c3ccccc3[n+]1CCCCCCCCCC[n+]4c(cc(c5c4cccc5)NCCCCCCCCCCN2)C
InChi [?]:
InChI=1/C40H56N4/c1-33-31-37-35-23-15-17-25-39(35)43(33)29-21-13-9-5-6-10-14-22-30-44-34(2)32-38(36-24-16-18-26-40(36)44)42-28-20-12-8-4-3-7-11-19-27-41-37/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3/p+2
InChi Info:
AuxInfo=1/5/N:1,44,38,37,16,17,39,36,15,18,40,35,14,19,7,30,8,29,41,34,13,20,6,31,9,28,42,33,12,21,3,24,2,23,5,26,4,25,10,27,43,32,11,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44nCCCCCCCCCCN+CCCCCCCCCCN+CCCCCCCCCNCCCCCCCCCCNC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s27;d28;s29;s26d30;s25;s32;s33;s34;s35;s36;s37;s38;s39;s40;s41;s4s42;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C40H58N4+2 |
All Atoms: | 102 |
Heavy Atoms: | 44 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -41.9726 |
Area: | 881.197 |
Solvation: | -64.0025 |
Coulombic: | 21.3622 |
Bond Count [?]
All: | 48 |
Single: | 38 |
Double: | 10 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 10.77 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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