Molecule

ID:46556

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃ClN₂O₂
Molecular Mass
298.80832
Exact Mass
298.14480567
Charge
0
InChI
InChI=1S/C15H22N2O2.ClH/c1-12(18)17-14-5-2-6-15(10-14)19-9-7-13-4-3-8-16-11-13;/h2,5-6,10,13,16H,3-4,7-9,11H2,1H3,(H,17,18);1H
InChIKey
CMEWRLVPQCDHPT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)OCCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(Nc1cc(OCCC2CNCCC2)ccc1)C.Cl
Calculated Properties
JChem
Acid pKa
13.943528
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6321095
LogD (pH = 7.4)
-1.2560564
Log P
1.6022125
Molar Refractivity
76.9596
Polarizability
29.5711
Polar Surface Area
50.36
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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