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Chemical ID: 6155468
Chemical ID:
6155468
Name [?]:
N-(3,4-dichlorophenyl)tetrahydrofuran-2-carboxamide
SMILES [?]:
c1cc(c(cc1NC(=O)C2CCCO2)Cl)Cl
InChi [?]:
InChI=1/C11H11Cl2NO2/c12-8-4-3-7(6-9(8)13)14-11(15)10-2-1-5-16-10/h3-4,6,10H,1-2,5H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:12,11,1,2,13,5,6,3,4,10,8,16,15,7,9,14/rA:16cCCCCCCNCOCCCCOClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s10s13;s4;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11Cl2NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.05396 |
Area: | 424.365 |
Solvation: | -3.55517 |
Coulombic: | -29.4314 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.116 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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