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Chemical ID: 3965216
Chemical ID:
3965216
Name [?]:
N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
SMILES [?]:
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCl
InChi [?]:
InChI=1/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,24,23,20,25,22,21/rA:25nCCCCCCCCCCCCCCCCCCCCONCCCl/rB:s1;s2;s3;s4;s5;w6;s7;s8;w9;s10;s11;w12;s13;s14;w15;s16;s17;s18;s19;d20;s20;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H36ClNO |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.8843 |
Area: | 728.028 |
Solvation: | -2.3164 |
Coulombic: | -27.557 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 17 |
Chiral: | 4 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 365.98 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.01 |
LogP (Chemaxon): | 6.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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