Molecule

ID:13364

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉ClN₂O
Molecular Mass
230.73436
Exact Mass
230.11859092
Charge
0
InChI
InChI=1S/C11H18N2O.ClH/c1-13(2)11-5-3-10(4-6-11)9-12-7-8-14;/h3-6,12,14H,7-9H2,1-2H3;1H
InChIKey
JUGSBQJKWMNAGU-UHFFFAOYSA-N
Canonic Smiles
OCCNCc1ccc(cc1)N(C)C.Cl
Isomeric Smiles
c1c(ccc(c1)CNCCO)N(C)C.Cl
Calculated Properties
JChem
Acid pKa
15.601633
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2235956
LogD (pH = 7.4)
-0.92820525
Log P
0.9495365
Molar Refractivity
60.0269
Polarizability
22.82493
Polar Surface Area
35.5
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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