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Chemical ID: 4339289
Chemical ID:
4339289
Name [?]:
1-(3-fluoro-4-morpholino-phenyl)butan-1-one
SMILES [?]:
CCCC(=O)c1ccc(c(c1)F)N2CCOCC2
InChi [?]:
InChI=1/C14H18FNO2/c1-2-3-14(17)11-4-5-13(12(15)10-11)16-6-8-18-9-7-16/h4-5,10H,2-3,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,7,8,14,18,15,17,11,6,10,9,4,12,13,5,16/E:(6,7)(8,9)/rA:18nCCCCOCCCCCCFNCCOCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s9;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18FNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.24043 |
Area: | 436.123 |
Solvation: | -4.66266 |
Coulombic: | -26.3099 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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