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Chemical ID: 6503853
Chemical ID:
6503853
Name [?]:
4-chloro-N-(5-ethyl-2-thienyl)-1,3,5-triazin-2-amine
SMILES [?]:
CCc1ccc(s1)Nc2ncnc(n2)Cl
InChi [?]:
InChI=1/C9H9ClN4S/c1-2-6-3-4-7(15-6)13-9-12-5-11-8(10)14-9/h3-5H,2H2,1H3,(H,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,4,5,11,3,6,13,9,15,12,10,8,14,7/rA:15nCCCCCCSNCNCNCNCl/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9ClN4S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0296 |
Area: | 410.847 |
Solvation: | -1.24158 |
Coulombic: | -31.4196 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 240.713 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.08 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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