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Chemical ID: 4239813
Chemical ID:
4239813
Name [?]:
2-(2-chlorophenoxy)-N-(2-hydroxy-5-methyl-phenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccccc2Cl)O
InChi [?]:
InChI=1/C15H14ClNO3/c1-10-6-7-13(18)12(8-10)17-15(19)9-20-14-5-3-2-4-11(14)16/h2-8,18H,9H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,3,4,7,11,2,18,6,5,13,9,19,8,20,10,12/rA:20nCCCCCCCNCOCOCCCCCCClO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57694 |
Area: | 487.055 |
Solvation: | -4.59943 |
Coulombic: | -45.6548 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.729 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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