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Chemical ID: 4183090
Chemical ID:
4183090
Name [?]:
(3-fluoro-4-morpholino-phenyl)-(p-tolyl)methanone
SMILES [?]:
Cc1ccc(cc1)C(=O)c2ccc(c(c2)F)N3CCOCC3
InChi [?]:
InChI=1/C18H18FNO2/c1-13-2-4-14(5-3-13)18(21)15-6-7-17(16(19)12-15)20-8-10-22-11-9-20/h2-7,12H,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,11,12,18,22,19,21,15,2,5,10,14,13,8,16,17,9,20/E:(2,3)(4,5)(8,9)(10,11)/rA:22nCCCCCCCCOCCCCCCFNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s14;s13;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18FNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57733 |
Area: | 485.955 |
Solvation: | -4.57156 |
Coulombic: | -28.5141 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 299.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.98 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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