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Chemical ID: 7244860
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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