Molecule

ID:90635

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H13NO2.ClH/c1-12-9-4-2-3-8(5-9)10(11)6-13-7-10;/h2-5H,6-7,11H2,1H3;1H
InChIKey
AETKUXBLSHMSLN-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C1(N)COC1.Cl
Isomeric Smiles
O1CC(C1)(c1cc(ccc1)OC)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8640805
LogD (pH = 7.4)
-0.200598
Log P
0.70637834
Molar Refractivity
49.6289
Polarizability
19.852734
Polar Surface Area
44.48
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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