Molecule

ID:55400

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClNO₃
Molecular Mass
297.7772
Exact Mass
297.11317119
Charge
0
InChI
InChI=1S/C15H19NO3.ClH/c17-14-8-9-16(10-12-4-2-1-3-5-12)11-13(14)6-7-15(18)19;/h1-5,13H,6-11H2,(H,18,19);1H
InChIKey
ODESZMXZWAQSKM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1CN(CCC1=O)Cc1ccccc1.Cl
Isomeric Smiles
c1(ccccc1)CN1CCC(=O)C(C1)CCC(=O)O.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.4781021
LogD (pH = 7.4)
-0.95478195
Log P
-0.49374545
Molar Refractivity
72.518
Polarizability
28.282162
Polar Surface Area
57.61
Rotatable Bonds
5
Lipinski's Rule of Five
true
Acid pKa
4.00815
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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