Chemical ID: 6501939

CN(C)CC(COc1ccccc1Cl)O
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

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Descriptor Annotations

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