Chemical ID: 7116911

c1cc(c(cc1NC(=O)C[NH+]2CCOCC2)Cl)F
Chemical ID:
7116911
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-2-(1-oxa-4-azoniacyclohex-4-yl)acetamide
SMILES [?]:
c1cc(c(cc1NC(=O)C[NH+]2CCOCC2)Cl)F
InChi [?]:
InChI=1/C12H14ClFN2O2/c13-10-7-9(1-2-11(10)14)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,12,16,13,15,5,10,6,4,3,8,17,18,7,11,9,14/E:(3,4)(5,6)/rA:18nCCCCCCNCOCN+CCOCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s4;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15ClFN2O2+
All Atoms:33
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-25.5986
Area:438.434
Solvation:-36.5595
Coulombic:3.53149
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:273.711
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.18
LogP (Chemaxon):1.55

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