Molecule

ID:31681

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₃
Molecular Mass
285.7665
Exact Mass
285.11317119
Charge
0
InChI
InChI=1S/C14H19NO3.ClH/c1-2-9-18-13-6-5-11(10-12(13)14(16)17)15-7-3-4-8-15;/h5-6,10H,2-4,7-9H2,1H3,(H,16,17);1H
InChIKey
UPVRYZIENUSXSQ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1C(=O)O)N1CCCC1.Cl
Isomeric Smiles
c1(cc(N2CCCC2)ccc1OCCC)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
2.9118202
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0642289
LogD (pH = 7.4)
0.040128235
Log P
1.1089268
Molar Refractivity
71.0196
Polarizability
26.637724
Polar Surface Area
49.77
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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