Molecule

ID:50066

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O₂
Molecular Mass
262.77622
Exact Mass
262.14480567
Charge
0
InChI
InChI=1S/C12H22N2O2.ClH/c15-12(11-3-1-2-6-13-11)14-9-10-4-7-16-8-5-10;/h10-11,13H,1-9H2,(H,14,15);1H
InChIKey
VDKDSVLQTWWQCL-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCN1)NCC1CCOCC1.Cl
Isomeric Smiles
C(=O)(NCC1CCOCC1)C1NCCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.754501
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.8171296
LogD (pH = 7.4)
-1.2970835
Log P
0.18594755
Molar Refractivity
62.6777
Polarizability
24.80672
Polar Surface Area
50.36
Rotatable Bonds
3
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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