Molecule

ID:62920

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O₂
Molecular Mass
284.78174
Exact Mass
284.1291556
Charge
0
InChI
InChI=1S/C14H20N2O2.ClH/c1-16-11-5-9-14(16,13(17)18)8-4-7-12-6-2-3-10-15-12;/h2-3,6,10H,4-5,7-9,11H2,1H3,(H,17,18);1H
InChIKey
LRVWBHAEWKHSJK-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC1(CCCc1ccccn1)C(=O)O.Cl
Isomeric Smiles
C1(N(CCC1)C)(C(=O)O)CCCc1ncccc1.Cl
Calculated Properties
JChem
Acid pKa
1.5469065
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.141583
LogD (pH = 7.4)
-0.8171078
Log P
-0.8133224
Molar Refractivity
69.3126
Polarizability
27.235218
Polar Surface Area
53.43
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
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Molecule Details
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References
Bioactivity
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