Chemical ID: 4749391

c1cc(ccc1C(F)(F)F)NC(=O)Nc2c(ccs2)Cl
Chemical ID:
4749391
Name [?]:
3-(3-chloro-2-thienyl)-1-[4-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1cc(ccc1C(F)(F)F)NC(=O)Nc2c(ccs2)Cl
InChi [?]:
InChI=1/C12H8ClF3N2OS/c13-9-5-6-20-10(9)18-11(19)17-8-3-1-7(2-4-8)12(14,15)16/h1-6H,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,17,18,6,3,16,15,12,7,20,8,9,10,11,14,13,19/E:(1,2)(3,4)(14,15,16)/rA:20nCCCCCCCFFFNCONCCCCSCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s3;s11;d12;s12;s14;d15;s16;d17;s15s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8ClF3N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.97534
Area:466.247
Solvation:-2.68083
Coulombic:-53.7797
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.719
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):3.85

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