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Chemical ID: 5645342
Chemical ID:
5645342
Name [?]:
2-[(6-bromo-2-naphthyl)oxy]-N-cyclohexyl-acetamide
SMILES [?]:
c1cc(cc2c1cc(cc2)Br)OCC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C18H20BrNO2/c19-15-8-6-14-11-17(9-7-13(14)10-15)22-12-18(21)20-16-4-2-1-3-5-16/h6-11,16H,1-5,12H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:20,19,21,18,22,10,1,9,2,7,4,13,6,5,8,17,3,14,11,16,15,12/E:(2,3)(4,5)/rA:22nCCCCCCCCCCBrOCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s5d9;s8;s3;s12;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20BrNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43089 |
Area: | 526.632 |
Solvation: | -3.73491 |
Coulombic: | -30.1826 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 362.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.0 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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