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Chemical ID: 4911369
Chemical ID:
4911369
Name [?]:
N,N'-bis(7-chloro-4-quinolyl)hexane-1,6-diamine
SMILES [?]:
c1cc2c(ccnc2cc1Cl)NCCCCCCNc3ccnc4c3ccc(c4)Cl
InChi [?]:
InChI=1/C24H24Cl2N4/c25-17-5-7-19-21(9-13-29-23(19)15-17)27-11-3-1-2-4-12-28-22-10-14-30-24-16-18(26)6-8-20(22)24/h5-10,13-16H,1-4,11-12H2,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:15,16,14,17,1,27,2,26,5,21,13,18,6,22,9,29,10,28,3,25,4,20,8,24,11,30,12,19,7,23/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)/gE:(1,2)/rA:30nCCCCCCNCCCClNCCCCCCNCCCNCCCCCCCl/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s10;s4;s12;s13;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24Cl2N4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.131 |
Area: | 716.276 |
Solvation: | -2.77592 |
Coulombic: | -35.8874 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 439.38 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 6.01 |
LogP (Chemaxon): | 5.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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