Molecule

ID:47367

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₂
Molecular Mass
257.7564
Exact Mass
257.11825657
Charge
0
InChI
InChI=1S/C13H19NO2.ClH/c1-15-13-4-2-3-11(9-13)10-16-12-5-7-14-8-6-12;/h2-4,9,12,14H,5-8,10H2,1H3;1H
InChIKey
VOAREZJZMIAPPK-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)COC1CCNCC1.Cl
Isomeric Smiles
N1CCC(OCc2cc(OC)ccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8848244
LogD (pH = 7.4)
-1.1964014
Log P
1.3351095
Molar Refractivity
64.2447
Polarizability
25.380901
Polar Surface Area
30.49
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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