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Chemical ID: 5792725
Chemical ID:
5792725
Name [?]:
N-[2-(2-chlorophenoxy)ethyl]octadecanamide
SMILES [?]:
CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1Cl
InChi [?]:
InChI=1/C26H44ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(29)28-22-23-30-25-20-18-17-19-24(25)27/h17-20H,2-16,21-23H2,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,27,26,28,25,17,21,22,29,24,18,30,20,19,23/rA:30nCCCCCCCCCCCCCCCCCCONCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;s20;s21;s22;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H44ClNO2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 17.4457 |
Area: | 829.091 |
Solvation: | -3.28156 |
Coulombic: | -33.6206 |
Bond Count [?]
All: | 30 |
Single: | 26 |
Double: | 4 |
Rotors: | 21 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 438.086 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 9.16 |
LogP (Chemaxon): | 7.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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