Chemical ID: 4320379

Cc1cc(ccc1OCC(=O)NCCO)Cl
Chemical ID:
4320379
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(2-hydroxyethyl)acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NCCO)Cl
InChi [?]:
InChI=1/C11H14ClNO3/c1-8-6-9(12)2-3-10(8)16-7-11(15)13-4-5-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,5,6,13,14,3,9,2,4,7,10,16,12,15,11,8/rA:16nCCCCCCCOCCONCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14ClNO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.16102
Area:442.13
Solvation:-4.89224
Coulombic:-44.85
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:243.686
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.25
LogP (Chemaxon):1.26

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Descriptor Annotations

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