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Chemical ID: 5753819
Chemical ID:
5753819
Name [?]:
2-chloro-N-(2-isopropoxyphenyl)-acetamide
SMILES [?]:
CC(C)Oc1ccccc1NC(=O)CCl
InChi [?]:
InChI=1/C11H14ClNO2/c1-8(2)15-10-6-4-3-5-9(10)13-11(14)7-12/h3-6,8H,7H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,9,6,14,2,10,5,12,15,11,13,4/E:(1,2)/rA:15nCCCOCCCCCCNCOCCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12036 |
Area: | 408.126 |
Solvation: | -3.08279 |
Coulombic: | -28.5641 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 227.687 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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