Chemical ID: 4724824

c1cc(ccc1C(CN2CCOCC2)O)F
Chemical ID:
4724824
Name [?]:
1-(4-fluorophenyl)-2-morpholino-ethanol
SMILES [?]:
c1cc(ccc1C(CN2CCOCC2)O)F
InChi [?]:
InChI=1/C12H16FNO2/c13-11-3-1-10(2-4-11)12(15)9-14-5-7-16-8-6-14/h1-4,12,15H,5-9H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,14,11,13,8,6,3,7,16,9,15,12/E:(1,2)(3,4)(5,6)(7,8)/rA:16cCCCCCCCCNCCOCCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s9s13;s7;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16FNO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:5.1233
Area:395.69
Solvation:-4.76894
Coulombic:-33.8866
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:225.259
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.93
LogP (Chemaxon):1.36

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