Chemical ID: 6397653

Cc1cc(ccc1OCC(=O)NC(C)C)Cl
Chemical ID:
6397653
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-isopropyl-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NC(C)C)Cl
InChi [?]:
InChI=1/C12H16ClNO2/c1-8(2)14-12(15)7-16-11-5-4-10(13)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:14,15,1,5,6,3,9,13,2,4,7,10,16,12,11,8/E:(1,2)/rA:16nCCCCCCCOCCONCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s13;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClNO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.50682
Area:442.53
Solvation:-3.55644
Coulombic:-28.9434
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:241.714
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.84
LogP (Chemaxon):2.46

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