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Chemical ID: 6402425
Chemical ID:
6402425
Name [?]:
2-(4-chlorophenoxy)-N-propyl-acetamide
SMILES [?]:
CCCNC(=O)COc1ccc(cc1)Cl
InChi [?]:
InChI=1/C11H14ClNO2/c1-2-7-13-11(14)8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,11,13,10,14,3,7,12,9,5,15,4,6,8/E:(3,4)(5,6)/rA:15nCCCNCOCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.15335 |
Area: | 433.232 |
Solvation: | -3.67747 |
Coulombic: | -29.2335 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 227.687 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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