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Chemical ID: 6326794
Chemical ID:
6326794
Name [?]:
(3-bromo-4-methyl-phenyl)-(3-fluoro-4-morpholino-phenyl)-methanone
SMILES [?]:
Cc1ccc(cc1Br)C(=O)c2ccc(c(c2)F)N3CCOCC3
InChi [?]:
InChI=1/C18H17BrFNO2/c1-12-2-3-13(10-15(12)19)18(22)14-4-5-17(16(20)11-14)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,13,19,23,20,22,6,16,2,5,11,7,15,14,9,8,17,18,10,21/E:(6,7)(8,9)/rA:23nCCCCCCCBrCOCCCCCCFNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;d12;s13;d14;d11s15;s15;s14;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17BrFNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20305 |
Area: | 512.185 |
Solvation: | -4.60158 |
Coulombic: | -28.2029 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 378.236 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.57 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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