Chemical ID: 6435323

c1ccc(cc1)Cn2c3cc(c(cc3nc2S)F)F
Chemical ID:
6435323
Name [?]:
1-benzyl-5,6-difluoro-benzoimidazole-2-thiol
SMILES [?]:
c1ccc(cc1)Cn2c3cc(c(cc3nc2S)F)F
InChi [?]:
InChI=1/C14H10F2N2S/c15-10-6-12-13(7-11(10)16)18(14(19)17-12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,10,7,4,12,11,14,9,16,18,19,15,8,17/E:(2,3)(4,5)/rA:19nCCCCCCCNCCCCCCNCSFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8d15;s16;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10F2N2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.22391
Area:420.395
Solvation:-3.28598
Coulombic:-21.9729
Bond Count [?]
All:21
Single:14
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:276.305
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.04
LogP (Chemaxon):4.84

Name Annotations

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Descriptor Annotations

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