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Chemical ID: 6720466
Chemical ID:
6720466
Name [?]:
2-(4-fluorobenzoyl)aminoethyl-dimethyl-ammonium
SMILES [?]:
C[NH+](C)CCNC(=O)c1ccc(cc1)F
InChi [?]:
InChI=1/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)/p+1
InChi Info:
AuxInfo=1/1/N:1,3,10,14,11,13,5,4,9,12,7,15,6,2,8/E:(1,2)(3,4)(5,6)/rA:15nCN+CCCNCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16FN2O+ |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -25.3446 |
Area: | 400.784 |
Solvation: | -35.3642 |
Coulombic: | 6.15249 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.256 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.44 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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