Chemical ID: 7280568

c1cc(c(cc1NC(=O)CC2CCCCC2)[N+](=O)[O-])F
Chemical ID:
7280568
Name [?]:
2-cyclohexyl-N-(4-fluoro-3-nitro-phenyl)-acetamide
SMILES [?]:
c1cc(c(cc1NC(=O)CC2CCCCC2)[N+](=O)[O-])F
InChi [?]:
InChI=1/C14H17FN2O3/c15-12-7-6-11(9-13(12)17(19)20)16-14(18)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:14,13,15,12,16,1,2,10,5,11,6,3,4,8,20,7,17,9,18,19/E:(2,3)(4,5)(19,20)/CRV:17.5/rA:20nCCCCCCNCOCCCCCCCN+OO-F/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s4;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17FN2O3
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.39638
Area:457.013
Solvation:-9.02893
Coulombic:-33.8191
Bond Count [?]
All:21
Single:16
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.295
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.9
LogP (Chemaxon):3.51

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue