Chemical ID: 7244860

c1ccc2c(c1)nc(s2)Nc3ccccc3Cl
Chemical ID:
7244860
Name [?]:
N-(2-chlorophenyl)benzothiazol-2-amine
SMILES [?]:
c1ccc2c(c1)nc(s2)Nc3ccccc3Cl
InChi [?]:
InChI=1/C13H9ClN2S/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:14,13,1,2,15,12,6,3,16,11,5,4,8,17,10,7,9/rA:17nCCCCCCNCSNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9ClN2S
All Atoms:26
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.44892
Area:422.671
Solvation:-1.11784
Coulombic:-21.0027
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:260.743
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.76
LogP (Chemaxon):4.85

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Descriptor Annotations

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