Molecule

ID:57414

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅NO
Molecular Mass
211.3437
Exact Mass
211.19361443
Charge
0
InChI
InChI=1S/C13H25NO/c1-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15/h11-13,15H,2-10H2,1H3/t12-,13-/m1/s1
InChIKey
MFZQTEPQOCJIFK-CHWSQXEVSA-N
Canonic Smiles
O[C@@H]1CCCC[C@H]1N(C1CCCCC1)C
Isomeric Smiles
N([C@H]1[C@H](O)CCCC1)(C1CCCCC1)C
Calculated Properties
JChem
Acid pKa
14.597884
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7796116
LogD (pH = 7.4)
-0.39464274
Log P
2.7138069
Molar Refractivity
63.378
Polarizability
25.369677
Polar Surface Area
23.47
Rotatable Bonds
2
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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