Molecule

ID:20341

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClNO
Molecular Mass
187.66656
Exact Mass
187.07639175
Charge
0
InChI
InChI=1S/C9H13NO.ClH/c1-3-11-9-5-4-8(10)6-7(9)2;/h4-6H,3,10H2,1-2H3;1H
InChIKey
DHOCFYMSTVQFFF-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1C)N.Cl
Isomeric Smiles
c1(c(ccc(c1)N)OCC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6107247
LogD (pH = 7.4)
1.8527105
Log P
1.8568779
Molar Refractivity
47.0114
Polarizability
17.595901
Polar Surface Area
35.25
Rotatable Bonds
2
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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