Chemical ID: 4978800

c1c(cc2c(c1C(F)(F)F)sc(n2)N)C(F)(F)F
Chemical ID:
4978800
Name [?]:
5,7-bis(trifluoromethyl)benzothiazol-2-amine
SMILES [?]:
c1c(cc2c(c1C(F)(F)F)sc(n2)N)C(F)(F)F
InChi [?]:
InChI=1/C9H4F6N2S/c10-8(11,12)3-1-4(9(13,14)15)6-5(2-3)17-7(16)18-6/h1-2H,(H2,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,2,6,4,5,12,15,7,16,17,18,8,9,10,14,13,11/E:(10,11,12)(13,14,15)/rA:18nCCCCCCCFFFSCNNCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s5;s11;s4d12;s12;s2;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H4F6N2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.55373
Area:378.365
Solvation:-2.90539
Coulombic:-57.7589
Bond Count [?]
All:19
Single:15
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.198
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.96
LogP (Chemaxon):4.06

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Descriptor Annotations

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