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Chemical ID: 4728158
Chemical ID:
4728158
Name [?]:
6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine
SMILES [?]:
c1cc(c(cc1Cl)Sc2ccc(cn2)N)Cl
InChi [?]:
InChI=1/C11H8Cl2N2S/c12-7-1-3-9(13)10(5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2
InChi Info:
AuxInfo=1/0/N:1,11,2,10,5,13,6,12,3,4,9,7,16,15,14,8/rA:16nCCCCCCClSCCCCCNNCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;d10;s11;d12;d9s13;s12;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8Cl2N2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35975 |
Area: | 429.222 |
Solvation: | -1.37081 |
Coulombic: | -24.2456 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 271.166 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.48 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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