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Chemical ID: 4147638
Chemical ID:
4147638
Name [?]:
3,6-dichloro-N-cyclododecyl-2-methoxy-benzamide
SMILES [?]:
COc1c(ccc(c1C(=O)NC2CCCCCCCCCCC2)Cl)Cl
InChi [?]:
InChI=1/C20H29Cl2NO2/c1-25-19-17(22)14-13-16(21)18(19)20(24)23-15-11-9-7-5-3-2-4-6-8-10-12-15/h13-15H,2-12H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,15,21,14,22,13,23,6,5,12,7,4,8,3,9,24,25,11,10,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:25nCOCCCCCCCONCCCCCCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s12s22;s7;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H29Cl2NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9563 |
Area: | 536.79 |
Solvation: | -2.46348 |
Coulombic: | -32.6562 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 386.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 7.83 |
LogP (Chemaxon): | 5.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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