Chemical ID: 4725482

c1ccc(c(c1)c2nc3ccccc3s2)Cl
Chemical ID:
4725482
Name [?]:
2-(2-chlorophenyl)benzothiazole
SMILES [?]:
c1ccc(c(c1)c2nc3ccccc3s2)Cl
InChi [?]:
InChI=1/C13H8ClNS/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,11,12,6,3,10,13,5,4,9,14,7,16,8,15/rA:16nCCCCCCCNCCCCCCSCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8ClNS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.99046
Area:401.543
Solvation:-1.04811
Coulombic:-9.39964
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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