Molecule

ID:47306

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-11(2)15-7-6-13(9-12(15)3)17-14-5-4-8-16-10-14;/h6-7,9,11,14,16H,4-5,8,10H2,1-3H3;1H
InChIKey
RFSASXHTNWQJHW-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1C)OC1CCCNC1)C.Cl
Isomeric Smiles
c1(c(cc(OC2CNCCC2)cc1)C)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.50495493
LogD (pH = 7.4)
1.6140705
Log P
3.6751661
Molar Refractivity
71.6888
Polarizability
28.247433
Polar Surface Area
21.26
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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