Molecule

ID:90629

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClNO
Molecular Mass
185.65068
Exact Mass
185.06074169
Charge
0
InChI
InChI=1S/C9H11NO.ClH/c10-9(6-11-7-9)8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H
InChIKey
RWUQQOGOMYRSSK-UHFFFAOYSA-N
Canonic Smiles
NC1(COC1)c1ccccc1.Cl
Isomeric Smiles
O1CC(c2ccccc2)(C1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7527711
LogD (pH = 7.4)
-0.107057154
Log P
0.8640496
Molar Refractivity
43.1657
Polarizability
17.34535
Polar Surface Area
35.25
Rotatable Bonds
1
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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