Molecule

ID:45255

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)7-12-10-6-4-3-5-9(10)11;/h3-6,8H,7,11H2,1-2H3;1H
InChIKey
XBRSTMGBTSKQDO-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccccc1N)C.Cl
Isomeric Smiles
O(c1c(N)cccc1)CC(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1921225
LogD (pH = 7.4)
2.2304404
Log P
2.2309518
Molar Refractivity
50.9658
Polarizability
19.520988
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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