Chemical ID: 5282760

c1cc(ccc1Sc2[nH]c3c(n2)c(ncn3)N)Cl
Chemical ID:
5282760
Name [?]:
8-(4-chlorophenyl)sulfanyl-9H-purin-6-amine
SMILES [?]:
c1cc(ccc1Sc2[nH]c3c(n2)c(ncn3)N)Cl
InChi [?]:
InChI=1/C11H8ClN5S/c12-6-1-3-7(4-2-6)18-11-16-8-9(13)14-5-15-10(8)17-11/h1-5H,(H3,13,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,15,3,6,11,13,10,8,18,17,14,16,12,9,7/E:(1,2)(3,4)/rA:18nCCCCCCSCNCCNCNCNNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;d8s11;d11;s13;d14;d10s15;s13;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8ClN5S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.65845
Area:447.392
Solvation:-1.52635
Coulombic:-47.3512
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:277.734
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.49
LogP (Chemaxon):3.13

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