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Chemical ID: 6501939
Chemical ID:
6501939
Name [?]:
1-(2-chlorophenoxy)-3-dimethylamino-propan-2-ol
SMILES [?]:
CN(C)CC(COc1ccccc1Cl)O
InChi [?]:
InChI=1/C11H16ClNO2/c1-13(2)7-9(14)8-15-11-6-4-3-5-10(11)12/h3-6,9,14H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,12,9,4,6,5,13,8,14,2,15,7/E:(1,2)/rA:15cCNCCCCOCCCCCCClO/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.89433 |
Area: | 422.898 |
Solvation: | -4.67812 |
Coulombic: | -29.4514 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 229.703 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.74 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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