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Chemical ID: 7287806
Chemical ID:
7287806
Name [?]:
N-(3-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]-acetamide
SMILES [?]:
c1cc(cc(c1)F)NC(=O)COc2ccc(cc2)CO
InChi [?]:
InChI=1/C15H14FNO3/c16-12-2-1-3-13(8-12)17-15(19)10-20-14-6-4-11(9-18)5-7-14/h1-8,18H,9-10H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,17,14,18,4,19,11,16,5,3,13,9,7,8,20,10,12/E:(4,5)(6,7)/rA:20nCCCCCCFNCOCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO3 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.69929 |
Area: | 472.296 |
Solvation: | -6.10812 |
Coulombic: | -48.1874 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.275 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.03 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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