Molecule

ID:47267

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-15(2,3)12-6-8-13(9-7-12)17-14-5-4-10-16-11-14;/h6-9,14,16H,4-5,10-11H2,1-3H3;1H
InChIKey
PGKVFVPUUACFOJ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OC1CCCNC1)(C)C.Cl
Isomeric Smiles
C(c1ccc(OC2CNCCC2)cc1)(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.29222515
LogD (pH = 7.4)
1.4045995
Log P
3.461792
Molar Refractivity
71.1227
Polarizability
28.326426
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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