Chemical ID: 3965216

CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCl
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

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