Molecule

ID:21925

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClNO
Molecular Mass
187.66656
Exact Mass
187.07639175
Charge
0
InChI
InChI=1S/C9H13NO.ClH/c1-7(2)11-9-6-4-3-5-8(9)10;/h3-7H,10H2,1-2H3;1H
InChIKey
FNNHHPXYKGNPLB-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1N)C.Cl
Isomeric Smiles
c1(OC(C)C)c(N)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7238588
LogD (pH = 7.4)
1.7595568
Log P
1.7600316
Molar Refractivity
46.389
Polarizability
17.67573
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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