Molecule

ID:62521

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₂O
Molecular Mass
234.76612
Exact Mass
234.14989105
Charge
0
InChI
InChI=1S/C11H22N2O.ClH/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13;/h9-11,14H,1-8,12H2;1H/t9-,10-;
InChIKey
VSWYFXYVHTUOFZ-AWLKUTLJSA-N
Canonic Smiles
N[C@@H]1CC[C@H](CC1)N1CCC(CC1)O.Cl
Isomeric Smiles
N1([C@H]2CC[C@H](N)CC2)CCC(CC1)O.Cl
Calculated Properties
JChem
Acid pKa
15.179271
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.6699657
LogD (pH = 7.4)
-5.4411745
Log P
-0.18610074
Molar Refractivity
58.0536
Polarizability
23.206133
Polar Surface Area
49.49
Rotatable Bonds
1
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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