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Chemical ID: 6399124
Chemical ID:
6399124
Name [?]:
N-cyclooctyl-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)NC2CCCCCCC2
InChi [?]:
InChI=1/C15H20FNO/c16-13-8-6-7-12(11-13)15(18)17-14-9-4-2-1-3-5-10-14/h6-8,11,14H,1-5,9-10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:15,14,16,13,17,1,2,6,12,18,4,3,5,11,8,7,10,9/E:(2,3)(4,5)(9,10)/rA:18nCCCCCCFCONCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s14;s15;s16;s11s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4469 |
Area: | 428.014 |
Solvation: | -2.25344 |
Coulombic: | -27.456 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 249.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.55 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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