Molecule

ID:47188

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)13-6-4-5-7-14(13)17-12-8-10-16-11-9-12;/h4-7,12,16H,8-11H2,1-3H3;1H
InChIKey
GAXPNGIECNOACL-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OC1CCNCC1)(C)C.Cl
Isomeric Smiles
c1(c(C(C)(C)C)cccc1)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.20300968
LogD (pH = 7.4)
0.641309
Log P
3.004389
Molar Refractivity
71.3435
Polarizability
28.328089
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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