Molecule

ID:79550

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClNO₂
Molecular Mass
203.66596
Exact Mass
203.07130637
Charge
0
InChI
InChI=1S/C9H13NO2.ClH/c1-11-8-2-4-9(5-3-8)12-7-6-10;/h2-5H,6-7,10H2,1H3;1H
InChIKey
YCFXTJDWVNEVEX-UHFFFAOYSA-N
Canonic Smiles
[NH3+]CCOc1ccc(cc1)OC.[Cl-]
Isomeric Smiles
[NH3+]CCOc1ccc(cc1)OC.[Cl-]
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1006784
LogD (pH = 7.4)
-0.9950402
Log P
0.8609195
Molar Refractivity
58.227
Polarizability
18.665348
Polar Surface Area
46.1
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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