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Chemical ID: 6396602
Chemical ID:
6396602
Name [?]:
3-fluoro-N-(1-methylhexyl)benzamide
SMILES [?]:
CCCCCC(C)NC(=O)c1cccc(c1)F
InChi [?]:
InChI=1/C14H20FNO/c1-3-4-5-7-11(2)16-14(17)12-8-6-9-13(15)10-12/h6,8-11H,3-5,7H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,2,3,4,13,5,12,14,16,6,11,15,9,17,8,10/rA:17cCCCCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20FNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.0151 |
Area: | 453.49 |
Solvation: | -2.32216 |
Coulombic: | -27.4585 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 237.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.54 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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