Molecule

ID:87984

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c15-11-13-6-4-5-12(9-13)10-14-7-2-1-3-8-14/h4-6,9,15H,1-3,7-8,10-11H2
InChIKey
NZKXLHGCZWDXGE-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)CN1CCCCC1
Isomeric Smiles
N1(CCCCC1)Cc1cccc(c1)CO
Calculated Properties
JChem
Acid pKa
14.988763
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2038387
LogD (pH = 7.4)
0.38903397
Log P
1.997659
Molar Refractivity
63.5586
Polarizability
24.648054
Polar Surface Area
23.47
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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