Molecule

ID:46538

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO
Molecular Mass
253.7677
Exact Mass
253.12334195
Charge
0
InChI
InChI=1S/C14H19NO.ClH/c1-2-5-13-6-3-4-7-14(13)16-11-12-8-9-15-10-12;/h2-4,6-7,12,15H,1,5,8-11H2;1H
InChIKey
ALPVPXHYXNFCAL-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccccc1OCC1CNCC1.Cl
Isomeric Smiles
N1CC(COc2c(CC=C)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.62408084
LogD (pH = 7.4)
-0.46547088
Log P
2.6154923
Molar Refractivity
67.0831
Polarizability
26.325891
Polar Surface Area
21.26
Rotatable Bonds
5
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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