Molecule

ID:20792

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-12(2)14-3-5-15(6-4-14)17-11-13-7-9-16-10-8-13;/h3-6,12-13,16H,7-11H2,1-2H3;1H
InChIKey
MZEGDJHSCCVSTK-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OCC1CCNCC1)C.Cl
Isomeric Smiles
N1CCC(COc2ccc(cc2)C(C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.06647824
LogD (pH = 7.4)
0.39429256
Log P
3.1649427
Molar Refractivity
71.6864
Polarizability
28.327494
Polar Surface Area
21.26
Rotatable Bonds
4
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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