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Chemical ID: 4724824
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
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Experimental Annotations
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Descriptor Annotations
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