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Chemical ID: 6396592
Chemical ID:
6396592
Name [?]:
N-(4-chlorophenyl)-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H9ClFNO/c14-10-4-6-12(7-5-10)16-13(17)9-2-1-3-11(15)8-9/h1-8H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,15,12,16,4,3,14,5,11,8,17,7,10,9/E:(4,5)(6,7)/rA:17nCCCCCCFCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9ClFNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92419 |
Area: | 420.238 |
Solvation: | -2.58176 |
Coulombic: | -26.5178 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 249.668 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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