Chemical ID: 5248074

c1ccc(cc1)c2nc3cc(ccc3s2)Cl
Chemical ID:
5248074
Name [?]:
5-chloro-2-phenyl-benzothiazole
SMILES [?]:
c1ccc(cc1)c2nc3cc(ccc3s2)Cl
InChi [?]:
InChI=1/C13H8ClNS/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,13,10,4,11,9,14,7,16,8,15/E:(2,3)(4,5)/rA:16nCCCCCCCNCCCCCCSCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8ClNS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.50212
Area:417.614
Solvation:-0.938233
Coulombic:-9.32616
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:245.728
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.09
LogP (Chemaxon):4.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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