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Chemical ID: 5526292
Chemical ID:
5526292
Name [?]:
1-[3-(2-fluorophenoxy)-2-hydroxy-propyl]aminopropan-2-ol
SMILES [?]:
CC(CNCC(COc1ccccc1F)O)O
InChi [?]:
InChI=1/C12H18FNO3/c1-9(15)6-14-7-10(16)8-17-12-5-3-2-4-11(12)13/h2-5,9-10,14-16H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,3,5,7,2,6,14,9,15,4,17,16,8/rA:17cCCCNCCCOCCCCCCFOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s6;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18FNO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 3.61803 |
Area: | 446.925 |
Solvation: | -7.55509 |
Coulombic: | -52.025 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 243.275 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.79 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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