Molecule

ID:124151

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO
Molecular Mass
201.69314
Exact Mass
201.09204182
Charge
0
InChI
InChI=1S/C10H15NO.ClH/c1-8(2)12-10-5-3-4-9(6-10)7-11;/h3-6,8H,7,11H2,1-2H3;1H
InChIKey
CXDSXQYINHMZOT-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)OC(C)C.Cl
Isomeric Smiles
c1(OC(C)C)cc(CN)ccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2657114
LogD (pH = 7.4)
-0.27116713
Log P
1.714726
Molar Refractivity
50.162
Polarizability
19.912586
Polar Surface Area
35.25
Rotatable Bonds
3
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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