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Chemical ID: 6320475
Chemical ID:
6320475
Name [?]:
2-[2-(6-aminobenzothiazol-2-yl)ethyl]benzothiazol-6-amine
SMILES [?]:
c1cc2c(cc1N)sc(n2)CCc3nc4ccc(cc4s3)N
InChi [?]:
InChI=1/C16H14N4S2/c17-9-1-3-11-13(7-9)21-15(19-11)5-6-16-20-12-4-2-10(18)8-14(12)22-16/h1-4,7-8H,5-6,17-18H2
InChi Info:
AuxInfo=1/0/N:1,17,2,16,11,12,5,19,6,18,3,15,4,20,9,13,7,22,10,14,8,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCNSCNCCCNCCCCCCSN/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s3d9;s9;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;s13s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N4S2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3897 |
Area: | 533.557 |
Solvation: | -1.94924 |
Coulombic: | -44.0976 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 326.441 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 1.4 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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