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Chemical ID: 6323345
Chemical ID:
6323345
Name [?]:
N-(4-fluorophenyl)-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1ccc(cc1)F
InChi [?]:
InChI=1/C11H14FNO/c1-8(2)7-11(14)13-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,10,12,9,13,4,2,11,8,5,14,7,6/E:(1,2)(3,4)(5,6)/rA:14nCCCCCONCCCCCCF/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14FNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.7132 |
Area: | 367.795 |
Solvation: | -2.48169 |
Coulombic: | -24.2624 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 195.233 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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