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Chemical ID: 4109238
Chemical ID:
4109238
Name [?]:
3-(4-chlorophenyl)-N-cyclododecyl-prop-2-enamide
SMILES [?]:
c1cc(ccc1C=CC(=O)NC2CCCCCCCCCCC2)Cl
InChi [?]:
InChI=1/C21H30ClNO/c22-19-15-12-18(13-16-19)14-17-21(24)23-20-10-8-6-4-2-1-3-5-7-9-11-20/h12-17,20H,1-11H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,15,21,14,22,13,23,1,5,7,2,4,8,6,3,12,9,24,11,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)/rA:24nCCCCCCCCCONCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s12s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30ClNO |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8813 |
Area: | 546.798 |
Solvation: | -1.78864 |
Coulombic: | -25.6403 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 347.922 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.56 |
LogP (Chemaxon): | 6.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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