Molecule

ID:31753

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-3-13(2)8-11(14)9-4-6-10(12)7-5-9/h4-7,11,14H,3,8,12H2,1-2H3
InChIKey
FJHBRYHBDNZMHX-UHFFFAOYSA-N
Canonic Smiles
CCN(CC(c1ccc(cc1)N)O)C
Isomeric Smiles
c1(C(CN(CC)C)O)ccc(N)cc1
Calculated Properties
JChem
Acid pKa
14.219589
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.3884525
LogD (pH = 7.4)
-0.76079243
Log P
0.81218964
Molar Refractivity
60.0122
Polarizability
22.823961
Polar Surface Area
49.49
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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