Molecule

ID:67522

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₃
Molecular Mass
285.7665
Exact Mass
285.11317119
Charge
0
InChI
InChI=1S/C14H19NO3.ClH/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2,(H,16,17);1H
InChIKey
CMVTYSMYHSVDIU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)OCCN1CCCCC1.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCN1CCCCC1)O.Cl
Calculated Properties
JChem
Acid pKa
4.1514893
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.39756048
LogD (pH = 7.4)
-0.3938536
Log P
-0.3869644
Molar Refractivity
69.9385
Polarizability
27.017662
Polar Surface Area
49.77
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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