Molecule

ID:75955

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H13NO2.ClH/c11-7-8-3-1-4-9-10(8)13-6-2-5-12-9;/h1,3-4H,2,5-7,11H2;1H
InChIKey
YUPGBIWKJZMULF-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc2c1OCCCO2.Cl
Isomeric Smiles
O1CCCOc2c1cccc2CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.205701
LogD (pH = 7.4)
-0.82808274
Log P
0.6721065
Molar Refractivity
50.3542
Polarizability
19.839127
Polar Surface Area
44.48
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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