Chemical ID: 3991865

c1ccc2c(c1)nc(s2)Nc3cc(ccc3Cl)C(F)(F)F
Chemical ID:
3991865
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]benzothiazol-2-amine
SMILES [?]:
c1ccc2c(c1)nc(s2)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C14H8ClF3N2S/c15-9-6-5-8(14(16,17)18)7-11(9)20-13-19-10-3-1-2-4-12(10)21-13/h1-7H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,15,12,13,16,5,11,4,8,18,17,19,20,21,7,10,9/E:(16,17,18)/rA:21nCCCCCCNCSNCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8ClF3N2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.67012
Area:463.067
Solvation:-1.90656
Coulombic:-38.6084
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:328.741
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.69
LogP (Chemaxon):5.73

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