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Chemical ID: 7421294
Chemical ID:
7421294
Name [?]:
N-(3,4-difluorophenyl)-3H-benzoimidazole-5-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)Nc3ccc(c(c3)F)F)[nH]cn2
InChi [?]:
InChI=1/C14H9F2N3O/c15-10-3-2-9(6-11(10)16)19-14(20)8-1-4-12-13(5-8)18-7-17-12/h1-7H,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,11,12,2,5,15,19,6,10,13,14,3,4,7,17,16,20,18,9,8/rA:20nCCCCCCCONCCCCCCFFNCN/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;s4;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9F2N3O |
All Atoms: | 29 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.59487 |
Area: | 432.215 |
Solvation: | -4.21052 |
Coulombic: | -43.8491 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 273.238 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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