Chemical ID: 4728158

c1cc(c(cc1Cl)Sc2ccc(cn2)N)Cl
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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