Molecule

ID:28479

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₃O
Molecular Mass
211.30394
Exact Mass
211.16846231
Charge
0
InChI
InChI=1S/C11H21N3O/c15-11(13-10-3-1-2-4-10)9-14-7-5-12-6-8-14/h10,12H,1-9H2,(H,13,15)
InChIKey
XDWLSHXTCLRJMS-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1CCCC1)CN1CCNCC1
Isomeric Smiles
C(=O)(NC1CCCC1)CN1CCNCC1
Calculated Properties
JChem
Acid pKa
15.828044
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.120273
LogD (pH = 7.4)
-1.6187665
Log P
-0.09634027
Molar Refractivity
59.9602
Polarizability
23.793373
Polar Surface Area
44.37
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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