Molecule

ID:45290

General Information
Structure
Molecular Formula
C₁₁H₁₈ClNO
Molecular Mass
215.71972
Exact Mass
215.10769188
Charge
0
InChI
InChI=1S/C11H17NO.ClH/c1-9(2)13-11-6-4-3-5-10(11)7-8-12;/h3-6,9H,7-8,12H2,1-2H3;1H
InChIKey
NVKGZRRUVBVTMI-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccccc1OC(C)C.Cl
Isomeric Smiles
c1(OC(C)C)c(CCN)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0018235
LogD (pH = 7.4)
-0.23410432
Log P
2.0033872
Molar Refractivity
54.917
Polarizability
21.682976
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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