Molecule

ID:54833

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₂
Molecular Mass
210.27282
Exact Mass
210.13682783
Charge
0
InChI
InChI=1S/C11H18N2O2/c14-6-3-10-8-12-4-5-13(10)9-11-2-1-7-15-11/h1-2,7,10,12,14H,3-6,8-9H2
InChIKey
MWAOUUWANIYOFF-UHFFFAOYSA-N
Canonic Smiles
OCCC1CNCCN1Cc1ccco1
Isomeric Smiles
C1CN(C(CN1)CCO)Cc1ccco1
Calculated Properties
JChem
Acid pKa
15.921755
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.2614832
LogD (pH = 7.4)
-1.8182046
Log P
-0.13141434
Molar Refractivity
58.5749
Polarizability
23.024935
Polar Surface Area
48.64
Rotatable Bonds
4
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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